N064-0006 Screening compound: 6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-2-methyloxane-3,4-diol

N064-0006 Screening compound: 6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-2-methyloxane-3,4-diol
N064-0006 Screening compound: 6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-2-methyloxane-3,4-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound N064-0006
6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-2-methyloxane-3,4-diol

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

N064-0006

Molecular Formula

C33H56O4 (C33 H56 O4)

Compound Name

6-{[9a,11a-dimethyl-1-(6-methylheptan-2-yl)-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-2-methyloxane-3,4-diol

IUPAC name

6-{[(7R9aR11aR)-9a11a-dimethyl-1-(6-methylheptan-2-yl)-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl]oxy}-2-methyloxane-34-diol

SMILES

CC(C)CCCC(C)C(CC1)[C@](C)(CC2)C1C1C2[C@](C)(CC[C@@H](C2)OC(CC3O)OC(C)C3O)C2=CC1

InChI

InChI=1S/C33H56O4/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-23-18-24(37-30-19-29(34)31(35)22(4)36-30)14-16-32(23,5)28(25)15-17-33(26,27)6/h10,20-22,24-31,34-35H,7-9,11-19H2,1-6H3/t21?,22?,24-,25?,26?,27?,28?,29?,30?,31?,32+,33-/m0/s1

InChI Key

ZYEFDXSBYZKQEH-PJYVJTEBSA-N

MDL Number (MFCD)

MFCD02657276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.879

Distribution Coefficient, logD

6.879

Water Solubility, LogSw

-6.03

Polar Surface Area

46.659

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

12.00

Percent sp3 carbon bonding

93.90

N064-0006 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Glucocorticoid receptors Library (4806 compounds)

Steroid-like Compounds (494 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • 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 N064-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N064-0006?
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What is the minimum amount of N064-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N064-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N064-0006
  • 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 N064-0006 available by request