0987-0246 Screening compound: 2-[(E)-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)methyl]phenol

0987-0246 Screening compound: 2-[(E)-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)methyl]phenol
0987-0246 Screening compound: 2-[(E)-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)methyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0987-0246
2-[(E)-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)methyl]phenol

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

0987-0246

Molecular Formula

C19H14N2O3S (C19 H14 N2 O3 S)

Compound Name

2-[(E)-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)methyl]phenol

IUPAC name

2-[(E)-({4-[(4-nitrophenyl)sulfanyl]phenyl}imino)methyl]phenol

SMILES

[O-][N+](c(cc1)ccc1Sc(cc1)ccc1/N=C/c(cccc1)c1O)=O

InChI

InChI=1S/C19H14N2O3S/c22-19-4-2-1-3-14(19)13-20-15-5-9-17(10-6-15)25-18-11-7-16(8-12-18)21(23)24/h1-13,22H

InChI Key

HVACYCUUXHEKBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00996020

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.435

Distribution Coefficient, logD

5.402

Water Solubility, LogSw

-5.53

Polar Surface Area

58.024

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0987-0246 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 0987-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0987-0246?
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What is the minimum amount of 0987-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0987-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0987-0246
  • 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 0987-0246 available by request