0242-0959 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 3-methylbutyl carbonate

0242-0959 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 3-methylbutyl carbonate
0242-0959 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 3-methylbutyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0959
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 3-methylbutyl 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

0242-0959

Molecular Formula

C33H56O3 (C33 H56 O3)

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 3-methylbutyl carbonate

IUPAC name

9a11a-dimethyl-1-(6-methylheptan-2-yl)-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl 3-methylbutyl carbonate

SMILES

CC(C)CCCC(C)C(CC1)C(C)(CC2)C1C1C2C(C)(CCC(C2)OC(OCCC(C)C)=O)C2=CC1

InChI

InChI=1S/C33H56O3/c1-22(2)9-8-10-24(5)28-13-14-29-27-12-11-25-21-26(36-31(34)35-20-17-23(3)4)15-18-32(25,6)30(27)16-19-33(28,29)7/h11,22-24,26-30H,8-10,12-21H2,1-7H3

InChI Key

XXTAHAQGGBPUCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.882

Distribution Coefficient, logD

8.882

Water Solubility, LogSw

-5.91

Polar Surface Area

29.132

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

90.90

0242-0959 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 0242-0959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0959?
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What is the minimum amount of 0242-0959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0959
  • 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 0242-0959 available by request