8011-0430 Screening compound: (3R,12S)-12-hydroxy-17-(4-methoxy-1-methyl-4-oxobutyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate

8011-0430 Screening compound: (3R,12S)-12-hydroxy-17-(4-methoxy-1-methyl-4-oxobutyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate
8011-0430 Screening compound: (3R,12S)-12-hydroxy-17-(4-methoxy-1-methyl-4-oxobutyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0430
(3R,12S)-12-hydroxy-17-(4-methoxy-1-methyl-4-oxobutyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate

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

8011-0430

Molecular Formula

C32H46O5 (C32 H46 O5)

Compound Name

(3R,12S)-12-hydroxy-17-(4-methoxy-1-methyl-4-oxobutyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl benzoate

IUPAC name

(7R11S)-11-hydroxy-1-(5-methoxy-5-oxopentan-2-yl)-9a11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl benzoate

SMILES

CC(CCC(OC)=O)C(CCC1C(CC2)C(C3)C(C)(CC4)C2C[C@@H]4OC(c2ccccc2)=O)C1(C)[C@H]3O

InChI

InChI=1S/C32H46O5/c1-20(10-15-29(34)36-4)25-13-14-26-24-12-11-22-18-23(37-30(35)21-8-6-5-7-9-21)16-17-31(22,2)27(24)19-28(33)32(25,26)3/h5-9,20,22-28,33H,10-19H2,1-4H3/t20?,22?,23-,24?,25?,26?,27?,28-,31?,32?/m1/s1

InChI Key

WODXMQWAKLTMLB-UYBKUEDHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.71

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.781

Distribution Coefficient, logD

5.781

Water Solubility, LogSw

-5.58

Polar Surface Area

56.645

Acid Dissociation Constant (pKa)

17.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

10.00

Percent sp3 carbon bonding

75.00

8011-0430 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8011-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0430?
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What is the minimum amount of 8011-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0430
  • 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 8011-0430 available by request