Y040-6974 Screening compound: 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 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

Y040-6974 Screening compound: 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 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate
Y040-6974 Screening compound: 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 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6974
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 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

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

Y040-6974

Molecular Formula

C43H56O5 (C43 H56 O5)

Compound Name

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 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

IUPAC name

(1R3aS3bS7S9aR9bS11aR)-9a11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl 2-({4-methyl-6-oxo-6H-benzo[c]chromen-3-yl}oxy)acetate

SMILES

CC(C)CCC[C@H](C)[C@H](CC1)[C@](C)(CC2)[C@H]1[C@@H]1[C@@H]2[C@](C)(CC[C@H](C2)OC(COc(cc3)c(C)c(O4)c3-c(cccc3)c3C4=O)=O)C2=CC1

InChI

InChI=1S/C43H56O5/c1-26(2)10-9-11-27(3)35-17-18-36-34-15-14-29-24-30(20-22-42(29,5)37(34)21-23-43(35,36)6)47-39(44)25-46-38-19-16-32-31-12-7-8-13-33(31)41(45)48-40(32)28(38)4/h7-8,12-14,16,19,26-27,30,34-37H,9-11,15,17-18,20-25H2,1-6H3/t27-,30+,34-,35+,36+,37-,42+,43-/m0/s1

InChI Key

VDLDQAOJUODQEB-YLNAYKBISA-N

MDL Number (MFCD)

MFCD02059436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

652.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

9.617

Distribution Coefficient, logD

9.617

Water Solubility, LogSw

-5.97

Polar Surface Area

47.775

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

62.80

Y040-6974 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-6974 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y040-6974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6974
  • 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 Y040-6974 available by request