8002-9988 Screening compound: 1-acetyl-1,2,9a,11a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl acetate

8002-9988 Screening compound: 1-acetyl-1,2,9a,11a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl acetate
8002-9988 Screening compound: 1-acetyl-1,2,9a,11a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9988
1-acetyl-1,2,9a,11a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl 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

8002-9988

Molecular Formula

C25H38O3 (C25 H38 O3)

Compound Name

1-acetyl-1,2,9a,11a-tetramethyl-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl acetate

IUPAC name

(1S2R)-1-acetyl-129a11a-tetramethyl-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-9-yl acetate

SMILES

C[C@H](CC1C2(C)CCC3C(C)(C(CCC4)OC(C)=O)C4=CCC13)[C@]2(C)C(C)=O

InChI

InChI=1S/C25H38O3/c1-15-14-21-19-11-10-18-8-7-9-22(28-17(3)27)24(18,5)20(19)12-13-23(21,4)25(15,6)16(2)26/h10,15,19-22H,7-9,11-14H2,1-6H3/t15-,19?,20?,21?,22?,23?,24?,25+/m0/s1

InChI Key

BMCREEPJVHSYOD-HGWORJSSSA-N

MDL Number (MFCD)

MFCD00468597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.57

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

4.573

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.85

Polar Surface Area

34.593

Acid Dissociation Constant (pKa)

22.12

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

84.00

8002-9988 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8002-9988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9988?
Check Price and Availability of 8002-9988, 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 8002-9988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9988
  • 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 8002-9988 available by request