V002-2134 Screening compound: methyl (5E)-5-[(3-hydroxyphenyl)methylidene]-2-[(3-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V002-2134 Screening compound: methyl (5E)-5-[(3-hydroxyphenyl)methylidene]-2-[(3-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V002-2134 Screening compound: methyl (5E)-5-[(3-hydroxyphenyl)methylidene]-2-[(3-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-2134
methyl (5E)-5-[(3-hydroxyphenyl)methylidene]-2-[(3-nitrophenyl)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

V002-2134

Molecular Formula

C19H14N2O6S (C19 H14 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COC(C(C1=O)=C(Nc2cc([N+]([O-])=O)ccc2)S/C1=C/c1cc(O)ccc1)=O

InChI

InChI=1S/C19H14N2O6S/c1-27-19(24)16-17(23)15(9-11-4-2-7-14(22)8-11)28-18(16)20-12-5-3-6-13(10-12)21(25)26/h2-10,20,22H,1H3

InChI Key

GJUAKVQGTQMHSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19880456

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

2.888

Water Solubility, LogSw

-3.95

Polar Surface Area

93.536

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

V002-2134 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V002-2134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-2134?
Check Price and Availability of V002-2134, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-2134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-2134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-2134
  • 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 V002-2134 available by request