0242-1040 Screening compound: 9a,11a-dimethyl-1-(7-methyloctan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (3,4,5-trimethoxyphenyl)methyl carbonate

0242-1040 Screening compound: 9a,11a-dimethyl-1-(7-methyloctan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (3,4,5-trimethoxyphenyl)methyl carbonate
0242-1040 Screening compound: 9a,11a-dimethyl-1-(7-methyloctan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (3,4,5-trimethoxyphenyl)methyl carbonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-1040
9a,11a-dimethyl-1-(7-methyloctan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (3,4,5-trimethoxyphenyl)methyl 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

0242-1040

Molecular Formula

C39H60O6 (C39 H60 O6)

Compound Name

9a,11a-dimethyl-1-(7-methyloctan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl (3,4,5-trimethoxyphenyl)methyl carbonate

IUPAC name

9a11a-dimethyl-1-(7-methyloctan-2-yl)-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl (345-trimethoxyphenyl)methyl carbonate

SMILES

CC(C)CCCCC(C)C(CC1)C(C)(CC2)C1C1C2C(C)(CCC(C2)OC(OCc(cc3OC)cc(OC)c3OC)=O)C2=CC1

InChI

InChI=1S/C39H60O6/c1-25(2)11-9-10-12-26(3)31-15-16-32-30-14-13-28-23-29(17-19-38(28,4)33(30)18-20-39(31,32)5)45-37(40)44-24-27-21-34(41-6)36(43-8)35(22-27)42-7/h13,21-22,25-26,29-33H,9-12,14-20,23-24H2,1-8H3

InChI Key

CWFDOCQDCMPXOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01534200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

624.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

9.176

Distribution Coefficient, logD

9.176

Water Solubility, LogSw

-5.92

Polar Surface Area

51.920

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

76.90

0242-1040 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 0242-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-1040?
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What is the minimum amount of 0242-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-1040
  • 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 0242-1040 available by request