R092-0055 Screening compound: 9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

R092-0055 Screening compound: 9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
R092-0055 Screening compound: 9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound R092-0055
9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

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

R092-0055

Molecular Formula

C22H29FO5 (C22 H29 FO5)

Compound Name

9b-fluoro-1,10-dihydroxy-1-(2-hydroxyacetyl)-2,9a,11a-trimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

IUPAC name

9b-fluoro-110-dihydroxy-1-(2-hydroxyacetyl)-29a11a-trimethyl-1H2H3H3aH3bH4H5H7H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-one

SMILES

CC(CC(C(CCC(C1(C)C=C2)=CC2=O)C11F)C2(C)CC1O)C2(C(CO)=O)O

InChI

InChI=1S/C22H29FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3

InChI Key

UREBDLICKHMUKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00066763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.121

Distribution Coefficient, logD

2.121

Water Solubility, LogSw

-3.74

Polar Surface Area

74.779

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

72.70

R092-0055 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Glucocorticoid receptors Library (4806 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Steroid-like Compounds (494 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • 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 R092-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R092-0055?
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What is the minimum amount of R092-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R092-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R092-0055
  • 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 R092-0055 available by request