V009-2790 Screening compound: methyl (5E)-2-[(2-chlorophenyl)amino]-5-[(2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V009-2790 Screening compound: methyl (5E)-2-[(2-chlorophenyl)amino]-5-[(2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V009-2790 Screening compound: methyl (5E)-2-[(2-chlorophenyl)amino]-5-[(2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-2790
methyl (5E)-2-[(2-chlorophenyl)amino]-5-[(2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-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

V009-2790

Molecular Formula

C19H14ClNO4S (C19 H14 ClNO4 S)

Compound Name

methyl (5E)-2-[(2-chlorophenyl)amino]-5-[(2-hydroxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

methyl (5E)-2-[(2-chlorophenyl)amino]-5-[(2-hydroxyphenyl)methylidene]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

COC(C(C1=O)=C(Nc(cccc2)c2Cl)S/C1=C/c(cccc1)c1O)=O

InChI

InChI=1S/C19H14ClNO4S/c1-25-19(24)16-17(23)15(10-11-6-2-5-9-14(11)22)26-18(16)21-13-8-4-3-7-12(13)20/h2-10,21-22H,1H3

InChI Key

IHSXZZGPAFUQRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880397

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

387.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.07

Polar Surface Area

58.388

Acid Dissociation Constant (pKa)

7.08

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

V009-2790 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V009-2790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-2790?
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What is the minimum amount of V009-2790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-2790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-2790
  • 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 V009-2790 available by request