Y040-4555 Screening compound: 3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate

Y040-4555 Screening compound: 3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate
Y040-4555 Screening compound: 3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4555
3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate

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

Y040-4555

Molecular Formula

C21H22O5 (C21 H22 O5)

Compound Name

3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate

IUPAC name

3-hexyl-4-methyl-2-oxo-2H-chromen-7-yl furan-2-carboxylate

SMILES

CCCCCCC1=C(C)c(ccc(OC(c2ccco2)=O)c2)c2OC1=O

InChI

InChI=1S/C21H22O5/c1-3-4-5-6-8-17-14(2)16-11-10-15(13-19(16)26-20(17)22)25-21(23)18-9-7-12-24-18/h7,9-13H,3-6,8H2,1-2H3

InChI Key

KNOZNBGKEMUTFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03659824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.323

Distribution Coefficient, logD

5.323

Water Solubility, LogSw

-5.28

Polar Surface Area

50.116

Acid Dissociation Constant (pKa)

27.99

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y040-4555 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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 Y040-4555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4555?
Check Price and Availability of Y040-4555, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y040-4555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4555
  • 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 Y040-4555 available by request