Y040-7344 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-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetate

Y040-7344 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-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetate
Y040-7344 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-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7344
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-oxo-1H,2H,3H,4H-cyclopenta[c]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

Y040-7344

Molecular Formula

C41H56O5 (C41 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-oxo-1H,2H,3H,4H-cyclopenta[c]chromen-7-yl}oxy)acetate

IUPAC name

(1R3aS3bS7S9aR9bS11aR)-9a11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H2H3H3aH3bH4H6H7H8H9H9aH9bH10H11H11aH-cyclopenta[a]phenanthren-7-yl 2-({4-oxo-1H2H3H4H-cyclopenta[c]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(CCC3)=C3C4=O)=O)C2=CC1

InChI

InChI=1S/C41H56O5/c1-25(2)8-6-9-26(3)34-16-17-35-33-14-12-27-22-29(18-20-40(27,4)36(33)19-21-41(34,35)5)45-38(42)24-44-28-13-15-31-30-10-7-11-32(30)39(43)46-37(31)23-28/h12-13,15,23,25-26,29,33-36H,6-11,14,16-22,24H2,1-5H3/t26-,29+,33-,34+,35+,36-,40+,41-/m0/s1

InChI Key

CGVJWBXSEAMLGF-LOWWPYJYSA-N

MDL Number (MFCD)

MFCD02059053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

628.89

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

8.784

Distribution Coefficient, logD

8.784

Water Solubility, LogSw

-5.83

Polar Surface Area

48.562

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

8.00

Percent sp3 carbon bonding

70.70

Y040-7344 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 Y040-7344 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7344
  • 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 Y040-7344 available by request