V018-5832 Screening compound: methyl (5E)-5-[(4-hydroxyphenyl)methylidene]-2-[(2-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V018-5832 Screening compound: methyl (5E)-5-[(4-hydroxyphenyl)methylidene]-2-[(2-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V018-5832 Screening compound: methyl (5E)-5-[(4-hydroxyphenyl)methylidene]-2-[(2-methoxyphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-5832
methyl (5E)-5-[(4-hydroxyphenyl)methylidene]-2-[(2-methoxyphenyl)amino]-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

V018-5832

Molecular Formula

C20H17NO5S (C20 H17 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

COC(C(C1=O)=C(Nc(cccc2)c2OC)S/C1=C/c(cc1)ccc1O)=O

InChI

InChI=1S/C20H17NO5S/c1-25-15-6-4-3-5-14(15)21-19-17(20(24)26-2)18(23)16(27-19)11-12-7-9-13(22)10-8-12/h3-11,21-22H,1-2H3

InChI Key

ABJAPHFYJSWEQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880348

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

383.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.559

Water Solubility, LogSw

-4.16

Polar Surface Area

67.087

Acid Dissociation Constant (pKa)

7.52

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

V018-5832 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 V018-5832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-5832?
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What is the minimum amount of V018-5832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-5832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-5832
  • 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 V018-5832 available by request