N017-0006 Screening compound: 2-{1-hydroxy-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate

N017-0006 Screening compound: 2-{1-hydroxy-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate
N017-0006 Screening compound: 2-{1-hydroxy-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound N017-0006
2-{1-hydroxy-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-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

N017-0006

Molecular Formula

C23H34O5 (C23 H34 O5)

Compound Name

2-{1-hydroxy-9a,11a-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2-oxoethyl acetate

IUPAC name

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

SMILES

CC(CC1)(C(CC2)C(CC3)C1C(C)(CC1)C3CC1=O)C2(C(COC(C)=O)=O)O

InChI

InChI=1S/C23H34O5/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/h15,17-19,27H,4-13H2,1-3H3/t15?,17?,18?,19?,21?,22?,23-/m1/s1

InChI Key

SDSTWQKFZBIDEK-BARWMATKSA-N

MDL Number (MFCD)

MFCD00669326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.52

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

3.506

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-4.47

Polar Surface Area

63.385

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

86.96

N017-0006 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with N017-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N017-0006?
Check Price and Availability of N017-0006, 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 N017-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N017-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N017-0006
  • 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 N017-0006 available by request