0242-0969 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 (2E)-2-methylbut-2-enoate

0242-0969 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 (2E)-2-methylbut-2-enoate
0242-0969 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 (2E)-2-methylbut-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0242-0969
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 (2E)-2-methylbut-2-enoate

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

0242-0969

Molecular Formula

C32H52O2 (C32 H52 O2)

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 (2E)-2-methylbut-2-enoate

IUPAC name

9a11a-dimethyl-1-(6-methylheptan-2-yl)-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl (2E)-2-methylbut-2-enoate

SMILES

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

InChI

InChI=1S/C32H52O2/c1-8-22(4)30(33)34-25-16-18-31(6)24(20-25)12-13-26-28-15-14-27(23(5)11-9-10-21(2)3)32(28,7)19-17-29(26)31/h8,12,21,23,25-29H,9-11,13-20H2,1-7H3

InChI Key

VYFQXKWTOYNGEK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.76

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

8.471

Distribution Coefficient, logD

8.471

Water Solubility, LogSw

-5.93

Polar Surface Area

20.722

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

84.40

References: we are preparing a list of scientific research reports with 0242-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0242-0969?
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What is the minimum amount of 0242-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0242-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0242-0969
  • 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 0242-0969 available by request