Y041-1969 Screening compound: 9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 2-{[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

Y041-1969 Screening compound: 9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 2-{[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate
Y041-1969 Screening compound: 9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 2-{[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-1969
9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 2-{[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y041-1969

Molecular Formula

C45H57BrO6 (C45 H57 BrO6)

Compound Name

9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 2-{[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

IUPAC name

(1R3aS3bS7S9aR9bS11aR)-9a11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl 2-{[3-(4-bromophenoxy)-2-methyl-4-oxo-4H-chromen-7-yl]oxy}acetate

SMILES

CC(C)CCC[C@H](C)[C@H](CC1)[C@](C)(CC2)[C@H]1[C@@H]1[C@@H]2[C@](C)(CC[C@H](C2)OC(COc(cc3)cc(OC(C)=C4Oc(cc5)ccc5Br)c3C4=O)=O)C2=CC1

InChI

InChI=1S/C45H57BrO6/c1-27(2)8-7-9-28(3)37-18-19-38-35-16-10-30-24-34(20-22-44(30,5)39(35)21-23-45(37,38)6)51-41(47)26-49-33-15-17-36-40(25-33)50-29(4)43(42(36)48)52-32-13-11-31(46)12-14-32/h10-15,17,25,27-28,34-35,37-39H,7-9,16,18-24,26H2,1-6H3/t28-,34+,35-,37+,38+,39-,44+,45-/m0/s1

InChI Key

CMVKMCOLLGHHPU-KYZGVTDNSA-N

MDL Number (MFCD)

MFCD02331185

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

773.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

10.846

Distribution Coefficient, logD

10.846

Water Solubility, LogSw

-5.81

Polar Surface Area

54.779

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

60.00

Y041-1969 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y041-1969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-1969?
Check Price and Availability of Y041-1969, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-1969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-1969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-1969
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of Y041-1969 available by request