1261-0038 Screening compound: N-(2-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide

1261-0038 Screening compound: N-(2-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide
1261-0038 Screening compound: N-(2-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1261-0038
N-(2-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide

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

1261-0038

Molecular Formula

C35H59NO6 (C35 H59 NO6)

Compound Name

N-(2-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)acetamide

IUPAC name

N-[(2R3R4R5S6R)-2-{[9a11a-dimethyl-1-(6-methylheptan-2-yl)-1H2H3H3aH3bH5aH6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl]oxy}-45-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

SMILES

CC(C)CCCC(C)C(CC1)C2(C)C1C1C=CC(CC(CC3)O[C@H]([C@H]([C@@H]4O)NC(C)=O)O[C@@H](CO)[C@@H]4O)C3(C)C1CC2

InChI

InChI=1S/C35H59NO6/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)41-33-30(36-22(4)38)32(40)31(39)29(19-37)42-33/h10-11,20-21,23-33,37,39-40H,7-9,12-19H2,1-6H3,(H,36,38)/t21?,23?,24?,25?,26?,27?,28?,29-,30+,31-,32+,33+,34?,35?/m1/s1

InChI Key

PKKDIFDSSAHMMO-XRAXHYBKSA-N

MDL Number (MFCD)

MFCD01364916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

589.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.398

Distribution Coefficient, logD

5.398

Water Solubility, LogSw

-5.30

Polar Surface Area

89.318

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

14.00

Percent sp3 carbon bonding

91.40

1261-0038 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • 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 1261-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1261-0038?
Check Price and Availability of 1261-0038, 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 1261-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1261-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1261-0038
  • 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 1261-0038 available by request