8011-0437 Screening compound: 4-({9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}oxy)-4-oxobutanoic acid

8011-0437 Screening compound: 4-({9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}oxy)-4-oxobutanoic acid
8011-0437 Screening compound: 4-({9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}oxy)-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0437
4-({9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}oxy)-4-oxobutanoic acid

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

8011-0437

Molecular Formula

C23H36O4 (C23 H36 O4)

Compound Name

4-({9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}oxy)-4-oxobutanoic acid

IUPAC name

4-{[(1S9aS11aS)-9a11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]oxy}-4-oxobutanoic acid

SMILES

C[C@](CC1)(C(CC2)C3C1[C@@](C)(CCCC1)C1CC3)[C@H]2OC(CCC(O)=O)=O

InChI

InChI=1S/C23H36O4/c1-22-13-4-3-5-15(22)6-7-16-17-8-9-19(23(17,2)14-12-18(16)22)27-21(26)11-10-20(24)25/h15-19H,3-14H2,1-2H3,(H,24,25)/t15?,16?,17?,18?,19-,22-,23-/m0/s1

InChI Key

BQOYUBWEBGKHDA-XHEJAPSKSA-N

MDL Number (MFCD)

MFCD02647623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.545

Distribution Coefficient, logD

1.276

Water Solubility, LogSw

-5.20

Polar Surface Area

48.453

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

91.30

8011-0437 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 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
  • Cardiovascular
  • Metabolic
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8011-0437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0437?
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What is the minimum amount of 8011-0437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0437
  • 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 8011-0437 available by request