V026-0894 Screening compound: ethyl (5E)-2-[(4-fluorophenyl)amino]-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V026-0894 Screening compound: ethyl (5E)-2-[(4-fluorophenyl)amino]-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V026-0894 Screening compound: ethyl (5E)-2-[(4-fluorophenyl)amino]-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-0894
ethyl (5E)-2-[(4-fluorophenyl)amino]-5-[(1-methyl-1H-pyrrol-2-yl)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

V026-0894

Molecular Formula

C19H17FN2O3S (C19 H17 FN2 O3 S)

Compound Name

ethyl (5E)-2-[(4-fluorophenyl)amino]-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5E)-2-[(4-fluorophenyl)amino]-5-[(1-methyl-1H-pyrrol-2-yl)methylidene]-4-oxo-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc(cc2)ccc2F)S/C1=C/c1cccn1C)=O

InChI

InChI=1S/C19H17FN2O3S/c1-3-25-19(24)16-17(23)15(11-14-5-4-10-22(14)2)26-18(16)21-13-8-6-12(20)7-9-13/h4-11,21H,3H2,1-2H3

InChI Key

GDOJVLMOMYFMIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880512

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.612

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-4.28

Polar Surface Area

45.015

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

V026-0894 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V026-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-0894?
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What is the minimum amount of V026-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-0894
  • 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 V026-0894 available by request