Y040-7125 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl acetate

Y040-7125 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl acetate
Y040-7125 Screening compound: 3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-7125
3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl 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

Y040-7125

Molecular Formula

C12H8Cl2O4 (C12 H8 Cl2 O4)

Compound Name

3,6-dichloro-4-methyl-2-oxo-2H-chromen-7-yl acetate

IUPAC name

36-dichloro-4-methyl-2-oxo-2H-chromen-7-yl acetate

SMILES

CC(Oc(c(Cl)c1)cc(OC2=O)c1C(C)=C2Cl)=O

InChI

InChI=1S/C12H8Cl2O4/c1-5-7-3-8(13)10(17-6(2)15)4-9(7)18-12(16)11(5)14/h3-4H,1-2H3

InChI Key

DPVKITBSKINBGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00718977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.1

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.43

Polar Surface Area

41.998

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y040-7125 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y040-7125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-7125?
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What is the minimum amount of Y040-7125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-7125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-7125
  • 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 Y040-7125 available by request