N037-0041 Screening compound: 11a-ethyl-2-ethynyl-1-hydroxy-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

N037-0041 Screening compound: 11a-ethyl-2-ethynyl-1-hydroxy-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
N037-0041 Screening compound: 11a-ethyl-2-ethynyl-1-hydroxy-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N037-0041
11a-ethyl-2-ethynyl-1-hydroxy-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,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

N037-0041

Molecular Formula

C21H28O2 (C21 H28 O2)

Compound Name

11a-ethyl-2-ethynyl-1-hydroxy-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one

IUPAC name

(2S)-11a-ethyl-2-ethynyl-1-hydroxy-1H2H3H3aH3bH4H5H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-one

SMILES

CCC(CC1)(C(CC2C#C)C(CC3)C1C(CC1)C3=CC1=O)C2O

InChI

InChI=1S/C21H28O2/c1-3-13-12-19-18-7-5-14-11-15(22)6-8-16(14)17(18)9-10-21(19,4-2)20(13)23/h1,11,13,16-20,23H,4-10,12H2,2H3/t13-,16?,17?,18?,19?,20?,21?/m1/s1

InChI Key

KDLSFLJCQFFJIH-RBYYVXPSSA-N

MDL Number (MFCD)

MFCD02939890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

3.321

Water Solubility, LogSw

-3.82

Polar Surface Area

29.417

Acid Dissociation Constant (pKa)

18.18

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

76.20

N037-0041 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Steroid-like Compounds (494 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with N037-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N037-0041?
Check Price and Availability of N037-0041, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of N037-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N037-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N037-0041
  • 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 N037-0041 available by request