1080-0568 Screening compound: 1-{[(2-hydroxyethyl)amino]methyl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol

1080-0568 Screening compound: 1-{[(2-hydroxyethyl)amino]methyl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol
1080-0568 Screening compound: 1-{[(2-hydroxyethyl)amino]methyl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 1080-0568
1-{[(2-hydroxyethyl)amino]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

1080-0568

Molecular Formula

C22H39NO2 (C22 H39 NO2)

Compound Name

1-{[(2-hydroxyethyl)amino]methyl}-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol

IUPAC name

(1S5aR)-1-{[(2-hydroxyethyl)amino]methyl}-9a11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-ol

SMILES

CC(CC1)(C(CC2)C3C1C(C)(CCCC1)[C@H]1CC3)[C@@]2(CNCCO)O

InChI

InChI=1S/C22H39NO2/c1-20-10-4-3-5-16(20)6-7-17-18(20)8-11-21(2)19(17)9-12-22(21,25)15-23-13-14-24/h16-19,23-25H,3-15H2,1-2H3/t16-,17?,18?,19?,20?,21?,22+/m0/s1

InChI Key

GLWKVBMAXIHLJD-CFLZYXDNSA-N

MDL Number (MFCD)

MFCD00723389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.56

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.362

Distribution Coefficient, logD

2.942

Water Solubility, LogSw

-4.60

Polar Surface Area

44.559

Acid Dissociation Constant (pKa)

15.02

Base Dissociation Constant (pKb)

7.61

Number of Chiral Centers

7.00

Percent sp3 carbon bonding

100.00

1080-0568 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1080-0568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1080-0568?
Check Price and Availability of 1080-0568, 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 1080-0568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1080-0568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1080-0568
  • 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 1080-0568 available by request