V022-9267 Screening compound: methyl (5E)-2-[(4-chlorophenyl)amino]-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V022-9267 Screening compound: methyl (5E)-2-[(4-chlorophenyl)amino]-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V022-9267 Screening compound: methyl (5E)-2-[(4-chlorophenyl)amino]-5-[(4-hydroxy-3-methylphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9267
methyl (5E)-2-[(4-chlorophenyl)amino]-5-[(4-hydroxy-3-methylphenyl)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

V022-9267

Molecular Formula

C20H16ClNO4S (C20 H16 ClNO4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc(/C=C1/SC(Nc(cc2)ccc2Cl)=C(C(OC)=O)C1=O)cc1)c1O

InChI

InChI=1S/C20H16ClNO4S/c1-11-9-12(3-8-15(11)23)10-16-18(24)17(20(25)26-2)19(27-16)22-14-6-4-13(21)5-7-14/h3-10,22-23H,1-2H3

InChI Key

HOYKDQVPQGQWCL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.87

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

4.733

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.78

Polar Surface Area

59.085

Acid Dissociation Constant (pKa)

7.17

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with V022-9267 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9267?
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What is the minimum amount of V022-9267 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9267
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9267
  • 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 V022-9267 available by request