5263-0005 Screening compound: 7-(acetyloxy)-1-ethynyl-9b-hydroxy-11a-methyl-10-(nitrooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate

5263-0005 Screening compound: 7-(acetyloxy)-1-ethynyl-9b-hydroxy-11a-methyl-10-(nitrooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
5263-0005 Screening compound: 7-(acetyloxy)-1-ethynyl-9b-hydroxy-11a-methyl-10-(nitrooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5263-0005
7-(acetyloxy)-1-ethynyl-9b-hydroxy-11a-methyl-10-(nitrooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate

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

5263-0005

Molecular Formula

C24H27NO8 (C24 H27 NO8)

Compound Name

7-(acetyloxy)-1-ethynyl-9b-hydroxy-11a-methyl-10-(nitrooxy)-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate

IUPAC name

(1R9bR)-7-(acetyloxy)-1-ethynyl-9b-hydroxy-11a-methyl-10-(nitrooxy)-1H2H3H3aH3bH4H5H9bH10H11H11aH-cyclopenta[a]phenanthren-1-yl acetate

SMILES

CC(CC1O[N+]([O-])=O)(C(CC2)C(CCc3c4ccc(OC(C)=O)c3)[C@]14O)[C@@]2(C#C)OC(C)=O

InChI

InChI=1S/C24H27NO8/c1-5-23(32-15(3)27)11-10-19-20-8-6-16-12-17(31-14(2)26)7-9-18(16)24(20,28)21(33-25(29)30)13-22(19,23)4/h1,7,9,12,19-21,28H,6,8,10-11,13H2,2-4H3/t19?,20?,21?,22?,23-,24-/m0/s1

InChI Key

QGHTVEPSXYSMPN-IEACUXLISA-N

MDL Number (MFCD)

MFCD03827210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.48

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.910

Distribution Coefficient, logD

2.910

Water Solubility, LogSw

-4.21

Polar Surface Area

99.527

Acid Dissociation Constant (pKa)

15.33

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

58.30

5263-0005 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Steroid-like Compounds (494 compounds)

?ysteine Targeted Covalent Library (39471 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 5263-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5263-0005?
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What is the minimum amount of 5263-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5263-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5263-0005
  • 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 5263-0005 available by request