0199-0141 Screening compound: 9a,11-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 4-formylphenyl carbonate

0199-0141 Screening compound: 9a,11-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 4-formylphenyl carbonate
0199-0141 Screening compound: 9a,11-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 4-formylphenyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0199-0141
9a,11-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 4-formylphenyl carbonate

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

0199-0141

Molecular Formula

C35H50O4 (C35 H50 O4)

Compound Name

9a,11-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 4-formylphenyl carbonate

IUPAC name

9a11-dimethyl-1-(6-methylheptan-2-yl)-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl 4-formylphenyl carbonate

SMILES

CC(C)CCCC(C)C1C2C(C)CC3C(C)(CCC(C4)OC(Oc5ccc(C=O)cc5)=O)C4=CCC3C2CC1

InChI

InChI=1S/C35H50O4/c1-22(2)7-6-8-23(3)29-15-16-31-30-14-11-26-20-28(17-18-35(26,5)32(30)19-24(4)33(29)31)39-34(37)38-27-12-9-25(21-36)10-13-27/h9-13,21-24,28-33H,6-8,14-20H2,1-5H3

InChI Key

KGNVTXMKLGWDPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01241746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.973

Distribution Coefficient, logD

7.973

Water Solubility, LogSw

-5.79

Polar Surface Area

42.621

Acid Dissociation Constant (pKa)

25.97

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

71.40

0199-0141 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 0199-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0199-0141?
Check Price and Availability of 0199-0141, 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 0199-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0199-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0199-0141
  • 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 0199-0141 available by request