8002-6020 Screening compound: 4-[(Z)-[(2,4-dimethylphenyl)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

8002-6020 Screening compound: 4-[(Z)-[(2,4-dimethylphenyl)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate
8002-6020 Screening compound: 4-[(Z)-[(2,4-dimethylphenyl)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-6020
4-[(Z)-[(2,4-dimethylphenyl)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

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

8002-6020

Molecular Formula

C22H20N2O5S (C22 H20 N2 O5 S)

Compound Name

4-[(Z)-[(2,4-dimethylphenyl)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

IUPAC name

4-[(Z)-[(24-dimethylphenyl)imino]methyl]phenyl 4-methyl-3-nitrobenzene-1-sulfonate

SMILES

Cc(cc1)cc(C)c1/N=C\c(cc1)ccc1OS(c1cc([N+]([O-])=O)c(C)cc1)(=O)=O

InChI

InChI=1S/C22H20N2O5S/c1-15-4-11-21(17(3)12-15)23-14-18-6-8-19(9-7-18)29-30(27,28)20-10-5-16(2)22(13-20)24(25)26/h4-14H,1-3H3

InChI Key

AOZAYYLERXPJTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.774

Distribution Coefficient, logD

5.772

Water Solubility, LogSw

-5.59

Polar Surface Area

76.510

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

8002-6020 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 8002-6020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-6020?
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What is the minimum amount of 8002-6020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-6020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-6020
  • 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 8002-6020 available by request