N017-0012 Screening compound: 1-{1,7-dihydroxy-2,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-one

N017-0012 Screening compound: 1-{1,7-dihydroxy-2,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-one
N017-0012 Screening compound: 1-{1,7-dihydroxy-2,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N017-0012
1-{1,7-dihydroxy-2,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-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

N017-0012

Molecular Formula

C22H36O3 (C22 H36 O3)

Compound Name

1-{1,7-dihydroxy-2,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}ethan-1-one

IUPAC name

1-[(7S)-17-dihydroxy-29a11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl]ethan-1-one

SMILES

CC(CC(C1CC2)C3(C)CCC1C(C)(CC1)C2CC1O)C3(C(C)=O)O

InChI

InChI=1S/C22H36O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h13,15-19,24-25H,5-12H2,1-4H3/t13?,15?,16-,17?,18?,19?,20?,21?,22?/m1/s1

InChI Key

RGHGKGRVFXQGOV-JHPBCVOQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.528

Distribution Coefficient, logD

3.528

Water Solubility, LogSw

-4.35

Polar Surface Area

45.000

Acid Dissociation Constant (pKa)

17.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

9.00

Percent sp3 carbon bonding

95.46

N017-0012 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with N017-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N017-0012?
Check Price and Availability of N017-0012, 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 N017-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N017-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N017-0012
  • 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 N017-0012 available by request