V022-9616 Screening compound: methyl (5E)-5-[(2-hydroxyphenyl)methylidene]-2-[(3-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate

V022-9616 Screening compound: methyl (5E)-5-[(2-hydroxyphenyl)methylidene]-2-[(3-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
V022-9616 Screening compound: methyl (5E)-5-[(2-hydroxyphenyl)methylidene]-2-[(3-nitrophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9616
methyl (5E)-5-[(2-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

V022-9616

Molecular Formula

C19H14N2O6S (C19 H14 N2 O6 S)

Compound Name

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

IUPAC name

methyl (5E)-5-[(2-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/c(cccc1)c1O)=O

InChI

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

InChI Key

AGFRQYMJSRHMAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20026865

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

4.309

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-4.11

Polar Surface Area

92.467

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with V022-9616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9616?
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What is the minimum amount of V022-9616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9616
  • 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 V022-9616 available by request