0526-5752 Screening compound: 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide

0526-5752 Screening compound: 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide
0526-5752 Screening compound: 3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0526-5752
3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide

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

0526-5752

Molecular Formula

C16H13N3O3S (C16 H13 N3 O3 S)

Compound Name

3-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitrobenzamide

IUPAC name

3-methyl-N-(6-methyl-13-benzothiazol-2-yl)-4-nitrobenzamide

SMILES

Cc(cc1)cc2c1nc(NC(c(cc1)cc(C)c1[N+]([O-])=O)=O)s2

InChI

InChI=1S/C16H13N3O3S/c1-9-3-5-12-14(7-9)23-16(17-12)18-15(20)11-4-6-13(19(21)22)10(2)8-11/h3-8H,1-2H3,(H,17,18,20)

InChI Key

AVLOMTGCJKGBJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.697

Distribution Coefficient, logD

4.691

Water Solubility, LogSw

-4.55

Polar Surface Area

66.172

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0526-5752 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 0526-5752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0526-5752?
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What is the minimum amount of 0526-5752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0526-5752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0526-5752
  • 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 0526-5752 available by request