Y040-7625 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-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate

Y040-7625 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-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate
Y040-7625 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-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7625
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-[(3,4-dimethyl-2-oxo-2H-chromen-7-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

Y040-7625

Molecular Formula

C40H56O5 (C40 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-[(3,4-dimethyl-2-oxo-2H-chromen-7-yl)oxy]acetate

IUPAC name

(1R3aS3bS7S9aR9bS11aR)-9a11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl 2-[(34-dimethyl-2-oxo-2H-chromen-7-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)cc(O4)c3C(C)=C(C)C4=O)=O)C2=CC1

InChI

InChI=1S/C40H56O5/c1-24(2)9-8-10-25(3)33-15-16-34-32-13-11-28-21-30(17-19-39(28,6)35(32)18-20-40(33,34)7)44-37(41)23-43-29-12-14-31-26(4)27(5)38(42)45-36(31)22-29/h11-12,14,22,24-25,30,32-35H,8-10,13,15-21,23H2,1-7H3/t25-,30+,32-,33+,34+,35-,39+,40-/m0/s1

InChI Key

VSHSRJVKIXIMNA-BTEHFHCBSA-N

MDL Number (MFCD)

MFCD02057903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

616.88

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

8.920

Distribution Coefficient, logD

8.920

Water Solubility, LogSw

-5.83

Polar Surface Area

48.276

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

70.00

Y040-7625 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Steroid-like Compounds (494 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cardiovascular
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-7625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7625?
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What is the minimum amount of Y040-7625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7625
  • 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 Y040-7625 available by request