C711-0368 Screening compound: methyl (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate

C711-0368 Screening compound: methyl (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
C711-0368 Screening compound: methyl (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C711-0368
methyl (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-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

C711-0368

Molecular Formula

C18H14O4 (C18 H14 O4)

Compound Name

methyl (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate

IUPAC name

methyl (2Z)-2-[(4-methylphenyl)methylidene]-3-oxo-23-dihydro-1-benzofuran-5-carboxylate

SMILES

Cc1ccc(/C=C2\Oc(ccc(C(OC)=O)c3)c3C2=O)cc1

InChI

InChI=1S/C18H14O4/c1-11-3-5-12(6-4-11)9-16-17(19)14-10-13(18(20)21-2)7-8-15(14)22-16/h3-10H,1-2H3

InChI Key

WJKQIJKAMZWJDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

4.141

Water Solubility, LogSw

-4.39

Polar Surface Area

42.537

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C711-0368 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C711-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C711-0368?
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What is the minimum amount of C711-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C711-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C711-0368
  • 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 C711-0368 available by request