Y040-7458 Screening compound: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl cyclohexanecarboxylate

Y040-7458 Screening compound: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl cyclohexanecarboxylate
Y040-7458 Screening compound: 3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7458
3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl cyclohexanecarboxylate

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

Y040-7458

Molecular Formula

C25H26O4 (C25 H26 O4)

Compound Name

3-benzyl-4,7-dimethyl-2-oxo-2H-chromen-5-yl cyclohexanecarboxylate

IUPAC name

3-benzyl-47-dimethyl-2-oxo-2H-chromen-5-yl cyclohexanecarboxylate

SMILES

Cc1cc(OC(C(Cc2ccccc2)=C2C)=O)c2c(OC(C2CCCCC2)=O)c1

InChI

InChI=1S/C25H26O4/c1-16-13-21(28-24(26)19-11-7-4-8-12-19)23-17(2)20(25(27)29-22(23)14-16)15-18-9-5-3-6-10-18/h3,5-6,9-10,13-14,19H,4,7-8,11-12,15H2,1-2H3

InChI Key

MEJYTNZFVRRMLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03029971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.156

Distribution Coefficient, logD

6.156

Water Solubility, LogSw

-5.51

Polar Surface Area

41.545

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

Y040-7458 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-7458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7458?
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What is the minimum amount of Y040-7458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7458
  • 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 Y040-7458 available by request