Y040-3811 Screening compound: 3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate

Y040-3811 Screening compound: 3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate
Y040-3811 Screening compound: 3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3811
3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl thiophene-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

Y040-3811

Molecular Formula

C19H16O6S (C19 H16 O6 S)

Compound Name

3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate

IUPAC name

3-(2-methoxy-2-oxoethyl)-48-dimethyl-2-oxo-2H-chromen-7-yl thiophene-2-carboxylate

SMILES

Cc(c(O1)c(cc2)C(C)=C(CC(OC)=O)C1=O)c2OC(c1cccs1)=O

InChI

InChI=1S/C19H16O6S/c1-10-12-6-7-14(24-19(22)15-5-4-8-26-15)11(2)17(12)25-18(21)13(10)9-16(20)23-3/h4-8H,9H2,1-3H3

InChI Key

YAORJZCWMJUMHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06621968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.639

Water Solubility, LogSw

-3.97

Polar Surface Area

62.906

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

Y040-3811 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-3811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3811?
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What is the minimum amount of Y040-3811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3811
  • 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 Y040-3811 available by request