Y040-7709 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate

Y040-7709 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate
Y040-7709 Screening compound: 3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7709
3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-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

Y040-7709

Molecular Formula

C25H26O4 (C25 H26 O4)

Compound Name

3-benzyl-4,8-dimethyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate

IUPAC name

3-benzyl-48-dimethyl-2-oxo-2H-chromen-7-yl cyclohexanecarboxylate

SMILES

Cc(c(O1)c(cc2)C(C)=C(Cc3ccccc3)C1=O)c2OC(C1CCCCC1)=O

InChI

InChI=1S/C25H26O4/c1-16-20-13-14-22(28-24(26)19-11-7-4-8-12-19)17(2)23(20)29-25(27)21(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

AXYHTZILPCIDPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02331273

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

5.941

Distribution Coefficient, logD

5.941

Water Solubility, LogSw

-5.61

Polar Surface Area

41.229

Acid Dissociation Constant (pKa)

21.38

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

Y040-7709 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y040-7709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7709?
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What is the minimum amount of Y040-7709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7709
  • 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 Y040-7709 available by request