N050-0015 Screening compound: 2-{1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate

N050-0015 Screening compound: 2-{1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate
N050-0015 Screening compound: 2-{1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N050-0015
2-{1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl 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

N050-0015

Molecular Formula

C23H32O5 (C23 H32 O5)

Compound Name

2-{1-hydroxy-9a,11a-dimethyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate

IUPAC name

2-[(1R)-1-hydroxy-9a11a-dimethyl-7-oxo-1H2H3H3aH3bH4H5H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-1-yl]-2-oxoethyl acetate

SMILES

CC(CC1)(C(CC2)C(CC3)C1C(C)(CC1)C3=CC1=O)C2(C(COC(C)=O)=O)O

InChI

InChI=1S/C23H32O5/c1-14(24)28-13-20(26)23(27)11-8-19-17-5-4-15-12-16(25)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,27H,4-11,13H2,1-3H3/t17?,18?,19?,21?,22?,23-/m1/s1

InChI Key

HPAKILCZTKWIFK-PVCMVKDSSA-N

MDL Number (MFCD)

MFCD01233841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.161

Distribution Coefficient, logD

3.161

Water Solubility, LogSw

-4.51

Polar Surface Area

63.385

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

78.30

N050-0015 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Steroid-like Compounds (494 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with N050-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N050-0015?
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What is the minimum amount of N050-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N050-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N050-0015
  • 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 N050-0015 available by request