V022-8536 Screening compound: ethyl (5E)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

V022-8536 Screening compound: ethyl (5E)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
V022-8536 Screening compound: ethyl (5E)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8536
ethyl (5E)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-2-(phenylamino)-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

V022-8536

Molecular Formula

C21H19NO4S (C21 H19 NO4 S)

Compound Name

ethyl (5E)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5E)-5-[(2-hydroxy-5-methylphenyl)methylidene]-4-oxo-2-(phenylamino)-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc2ccccc2)S/C1=C/c(cc(C)cc1)c1O)=O

InChI

InChI=1S/C21H19NO4S/c1-3-26-21(25)18-19(24)17(12-14-11-13(2)9-10-16(14)23)27-20(18)22-15-7-5-4-6-8-15/h4-12,22-23H,3H2,1-2H3

InChI Key

PNRMXXXAPNQIAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880769

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

381.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.005

Distribution Coefficient, logD

4.989

Water Solubility, LogSw

-4.26

Polar Surface Area

58.665

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with V022-8536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8536?
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What is the minimum amount of V022-8536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8536
  • 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 V022-8536 available by request