Y040-1998 Screening compound: prop-2-en-1-yl 2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate

Y040-1998 Screening compound: prop-2-en-1-yl 2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate
Y040-1998 Screening compound: prop-2-en-1-yl 2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-1998
prop-2-en-1-yl 2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]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

Y040-1998

Molecular Formula

C22H19ClO5 (C22 H19 ClO5)

Compound Name

prop-2-en-1-yl 2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate

IUPAC name

prop-2-en-1-yl 2-[(3-benzyl-6-chloro-4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate

SMILES

CC(c(c(O1)c2)cc(Cl)c2OCC(OCC=C)=O)=C(Cc2ccccc2)C1=O

InChI

InChI=1S/C22H19ClO5/c1-3-9-26-21(24)13-27-20-12-19-16(11-18(20)23)14(2)17(22(25)28-19)10-15-7-5-4-6-8-15/h3-8,11-12H,1,9-10,13H2,2H3

InChI Key

HXSVBAGHUJAJMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03713049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.84

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

4.964

Distribution Coefficient, logD

4.964

Water Solubility, LogSw

-5.13

Polar Surface Area

48.927

Acid Dissociation Constant (pKa)

24.27

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

Y040-1998 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-1998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-1998?
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What is the minimum amount of Y040-1998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-1998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-1998
  • 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 Y040-1998 available by request