N050-0006 Screening compound: 1-hydroxy-1,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one

N050-0006 Screening compound: 1-hydroxy-1,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
N050-0006 Screening compound: 1-hydroxy-1,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound N050-0006
1-hydroxy-1,9a,11a-trimethyl-hexadecahydro-1H-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

N050-0006

Molecular Formula

C20H32O2 (C20 H32 O2)

Compound Name

1-hydroxy-1,9a,11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one

IUPAC name

(1S5aS)-1-hydroxy-19a11a-trimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one

SMILES

C[C@](CC1)(C(C)(CC2)C1C(CC1)C2C(C)(CC2)[C@@H]1CC2=O)O

InChI

InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15?,16?,17?,18?,19?,20-/m0/s1

InChI Key

WYZDXEKUWRCKOB-JTRACFKJSA-N

MDL Number (MFCD)

MFCD00397190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-4.62

Polar Surface Area

29.233

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

95.00

N050-0006 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

GABA Library (7115 compounds)

Glucocorticoid receptors Library (4806 compounds)

Human Kinases Annotated Library (2415 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Steroid-like Compounds (494 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with N050-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N050-0006?
Check Price and Availability of N050-0006, 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 N050-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N050-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N050-0006
  • 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 N050-0006 available by request