N050-0003 Screening compound: 9a,11a-dimethyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate

N050-0003 Screening compound: 9a,11a-dimethyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate
N050-0003 Screening compound: 9a,11a-dimethyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N050-0003
9a,11a-dimethyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-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

N050-0003

Molecular Formula

C21H32O3 (C21 H32 O3)

Compound Name

9a,11a-dimethyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate

IUPAC name

(5aS)-9a11a-dimethyl-1-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl acetate

SMILES

CC(CC1)(C(CC2)C(CC3)C1C(C)(CC1)C3CC1OC(C)=O)C2=O

InChI

InChI=1S/C21H32O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h14-18H,4-12H2,1-3H3/t14-,15?,16?,17?,18?,20?,21?/m1/s1

InChI Key

FDCINQSOYQUNKB-ADASMSLVSA-N

MDL Number (MFCD)

MFCD00667831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.594

Distribution Coefficient, logD

3.594

Water Solubility, LogSw

-4.49

Polar Surface Area

34.071

Acid Dissociation Constant (pKa)

19.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

90.50

N050-0003 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with N050-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N050-0003?
Check Price and Availability of N050-0003, 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 N050-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N050-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N050-0003
  • 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 N050-0003 available by request