Y040-0606 Screening compound: 3-{4-methyl-7-[(4-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid

Y040-0606 Screening compound: 3-{4-methyl-7-[(4-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid
Y040-0606 Screening compound: 3-{4-methyl-7-[(4-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-0606
3-{4-methyl-7-[(4-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid

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

Y040-0606

Molecular Formula

C21H20O5 (C21 H20 O5)

Compound Name

3-{4-methyl-7-[(4-methylbenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoic acid

IUPAC name

3-{4-methyl-7-[(4-methylphenyl)methoxy]-2-oxo-2H-chromen-3-yl}propanoic acid

SMILES

Cc1ccc(COc(cc2)cc(O3)c2C(C)=C(CCC(O)=O)C3=O)cc1

InChI

InChI=1S/C21H20O5/c1-13-3-5-15(6-4-13)12-25-16-7-8-17-14(2)18(9-10-20(22)23)21(24)26-19(17)11-16/h3-8,11H,9-10,12H2,1-2H3,(H,22,23)

InChI Key

QBOYKMRHZSIOIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03853229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.787

Distribution Coefficient, logD

1.290

Water Solubility, LogSw

-3.99

Polar Surface Area

56.772

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

Y040-0606 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 Y040-0606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-0606?
Check Price and Availability of Y040-0606, 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 Y040-0606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-0606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-0606
  • 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 Y040-0606 available by request