8004-2118 Screening compound: 10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-16-yl propionate

8004-2118 Screening compound: 10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-16-yl propionate
8004-2118 Screening compound: 10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-16-yl propionate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2118
10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-16-yl propionate

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

8004-2118

Molecular Formula

C22H30O3 (C22 H30 O3)

Compound Name

10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-16-yl propionate

IUPAC name

9a11a-dimethyl-7-oxo-1H2H3H3aH3bH4H5H7H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-2-yl propanoate

SMILES

CCC(OC(C1)CC(C)(CC2)C1C(CC1)C2C(C)(C=C2)C1=CC2=O)=O

InChI

InChI=1S/C22H30O3/c1-4-20(24)25-16-12-19-17-6-5-14-11-15(23)7-10-22(14,3)18(17)8-9-21(19,2)13-16/h7,10-11,16-19H,4-6,8-9,12-13H2,1-3H3

InChI Key

SEFNHDCTTLMQJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00468852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

4.220

Water Solubility, LogSw

-4.75

Polar Surface Area

33.476

Acid Dissociation Constant (pKa)

24.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

72.73

8004-2118 in Drug Discovery

Included in Screening Libraries

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8004-2118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2118?
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What is the minimum amount of 8004-2118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2118
  • 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 8004-2118 available by request