Y040-8136 Screening compound: 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}acetate

Y040-8136 Screening compound: 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}acetate
Y040-8136 Screening compound: 4-methyl-2-oxo-3-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8136
4-methyl-2-oxo-3-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}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

Y040-8136

Molecular Formula

C23H23NO6 (C23 H23 NO6)

Compound Name

4-methyl-2-oxo-3-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}acetate

IUPAC name

4-methyl-2-oxo-3-propyl-2H-chromen-7-yl 2-{[(benzyloxy)carbonyl]amino}acetate

SMILES

CCCC1=C(C)c(ccc(OC(CNC(OCc2ccccc2)=O)=O)c2)c2OC1=O

InChI

InChI=1S/C23H23NO6/c1-3-7-19-15(2)18-11-10-17(12-20(18)30-22(19)26)29-21(25)13-24-23(27)28-14-16-8-5-4-6-9-16/h4-6,8-12H,3,7,13-14H2,1-2H3,(H,24,27)

InChI Key

KIDKFTSCMWGPAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01543863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

4.344

Water Solubility, LogSw

-4.62

Polar Surface Area

74.084

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

-3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

Y040-8136 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 Y040-8136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8136?
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What is the minimum amount of Y040-8136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8136
  • 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 Y040-8136 available by request