0435-5619 Screening compound: 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

0435-5619 Screening compound: 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
0435-5619 Screening compound: 3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0435-5619
3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

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

0435-5619

Molecular Formula

C16H13N3O3S (C16 H13 N3 O3 S)

Compound Name

3,4-dimethyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide

IUPAC name

34-dimethyl-N-(6-nitro-13-benzothiazol-2-yl)benzamide

SMILES

Cc(cc1)c(C)cc1C(Nc1nc(ccc([N+]([O-])=O)c2)c2s1)=O

InChI

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

InChI Key

ITKZAYDCFKEJGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00805219

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

4.769

Distribution Coefficient, logD

4.758

Water Solubility, LogSw

-4.65

Polar Surface Area

66.472

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0435-5619 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0435-5619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0435-5619?
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What is the minimum amount of 0435-5619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0435-5619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0435-5619
  • 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 0435-5619 available by request