Y040-7163 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-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate

Y040-7163 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-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate
Y040-7163 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-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7163
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-[(6-chloro-2-oxo-4-phenyl-2H-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

Y040-7163

Molecular Formula

C44H55ClO5 (C44 H55 ClO5)

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-[(6-chloro-2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetate

IUPAC name

(1R3aS3bS7S9aR9bS11aR)-9a11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl 2-[(6-chloro-2-oxo-4-phenyl-2H-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(cc(c(C(c3ccccc3)=C3)c4)OC3=O)c4Cl)=O)C2=CC1

InChI

InChI=1S/C44H55ClO5/c1-27(2)10-9-11-28(3)35-16-17-36-32-15-14-30-22-31(18-20-43(30,4)37(32)19-21-44(35,36)5)49-42(47)26-48-40-25-39-34(23-38(40)45)33(24-41(46)50-39)29-12-7-6-8-13-29/h6-8,12-14,23-25,27-28,31-32,35-37H,9-11,15-22,26H2,1-5H3/t28-,31+,32-,35+,36+,37-,43+,44-/m0/s1

InChI Key

HZOFJAVOORGTFE-ZTIZJZBNSA-N

MDL Number (MFCD)

MFCD02056879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

699.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

10.422

Distribution Coefficient, logD

10.422

Water Solubility, LogSw

-6.39

Polar Surface Area

47.577

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

59.10

Y040-7163 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-7163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7163?
Check Price and Availability of Y040-7163, 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 Y040-7163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7163
  • 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 Y040-7163 available by request