8005-9241 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 pyridine-3-carboxylate

8005-9241 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 pyridine-3-carboxylate
8005-9241 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 pyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9241
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 pyridine-3-carboxylate

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

8005-9241

Molecular Formula

C33H49NO2 (C33 H49 NO2)

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 pyridine-3-carboxylate

IUPAC name

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

SMILES

CC(C)CCCC(C)C(CC1)C(C)(CC2)C1C1C2C(C)(CCC(C2)OC(c3cnccc3)=O)C2=CC1

InChI

InChI=1S/C33H49NO2/c1-22(2)8-6-9-23(3)28-13-14-29-27-12-11-25-20-26(36-31(35)24-10-7-19-34-21-24)15-17-32(25,4)30(27)16-18-33(28,29)5/h7,10-11,19,21-23,26-30H,6,8-9,12-18,20H2,1-5H3

InChI Key

QNCSSTYPDRITJP-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.865

Distribution Coefficient, logD

7.865

Water Solubility, LogSw

-5.92

Polar Surface Area

29.968

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

75.80

References: we are preparing a list of scientific research reports with 8005-9241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9241?
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What is the minimum amount of 8005-9241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9241
  • 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 8005-9241 available by request