8010-5190 Screening compound: 1-[(aziridin-1-yl)methyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol

8010-5190 Screening compound: 1-[(aziridin-1-yl)methyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol
8010-5190 Screening compound: 1-[(aziridin-1-yl)methyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5190
1-[(aziridin-1-yl)methyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol

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

8010-5190

Molecular Formula

C22H37NO (C22 H37 NO)

Compound Name

1-[(aziridin-1-yl)methyl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol

IUPAC name

(1S9aS11aS)-1-[(aziridin-1-yl)methyl]-9a11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol

SMILES

C[C@](CC1)(C(CC2)C3C1[C@@](C)(CCCC1)C1CC3)[C@@]2(CN1CC1)O

InChI

InChI=1S/C22H37NO/c1-20-10-4-3-5-16(20)6-7-17-18(20)8-11-21(2)19(17)9-12-22(21,24)15-23-13-14-23/h16-19,24H,3-15H2,1-2H3/t16?,17?,18?,19?,20-,21-,22+/m0/s1

InChI Key

YAZNTOPQJPATQT-WZIGSZMUSA-N

MDL Number (MFCD)

MFCD01548141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.54

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.512

Distribution Coefficient, logD

4.510

Water Solubility, LogSw

-5.45

Polar Surface Area

20.089

Acid Dissociation Constant (pKa)

16.05

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

100.00

8010-5190 in Drug Discovery

Included in Screening Libraries

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

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8010-5190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5190?
Check Price and Availability of 8010-5190, 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 8010-5190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5190
  • 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 8010-5190 available by request