V018-4632 Screening compound: ethyl (5E)-2-[(3,5-dimethylphenyl)amino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V018-4632 Screening compound: ethyl (5E)-2-[(3,5-dimethylphenyl)amino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V018-4632 Screening compound: ethyl (5E)-2-[(3,5-dimethylphenyl)amino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4632
ethyl (5E)-2-[(3,5-dimethylphenyl)amino]-5-[(4-hydroxy-3-methoxyphenyl)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

V018-4632

Molecular Formula

C23H23NO5S (C23 H23 NO5 S)

Compound Name

ethyl (5E)-2-[(3,5-dimethylphenyl)amino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5E)-2-[(35-dimethylphenyl)amino]-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc2cc(C)cc(C)c2)S/C1=C/c(cc1)cc(OC)c1O)=O

InChI

InChI=1S/C23H23NO5S/c1-5-29-23(27)20-21(26)19(12-15-6-7-17(25)18(11-15)28-4)30-22(20)24-16-9-13(2)8-14(3)10-16/h6-12,24-25H,5H2,1-4H3

InChI Key

VFTMXAXYELCXBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880904

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.857

Distribution Coefficient, logD

4.852

Water Solubility, LogSw

-4.30

Polar Surface Area

66.296

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

V018-4632 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 V018-4632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4632?
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What is the minimum amount of V018-4632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4632
  • 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 V018-4632 available by request