0590-0165 Screening compound: 2-chloro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide

0590-0165 Screening compound: 2-chloro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide
0590-0165 Screening compound: 2-chloro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0590-0165
2-chloro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-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

0590-0165

Molecular Formula

C17H12ClN3O3S (C17 H12 ClN3 O3 S)

Compound Name

2-chloro-N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)-5-nitrobenzamide

IUPAC name

2-chloro-N-(5-methyl-4-phenyl-13-thiazol-2-yl)-5-nitrobenzamide

SMILES

Cc1c(-c2ccccc2)nc(NC(c(cc(cc2)[N+]([O-])=O)c2Cl)=O)s1

InChI

InChI=1S/C17H12ClN3O3S/c1-10-15(11-5-3-2-4-6-11)19-17(25-10)20-16(22)13-9-12(21(23)24)7-8-14(13)18/h2-9H,1H3,(H,19,20,22)

InChI Key

SHQLXDOWLPFZLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00989458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.82

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-5.08

Polar Surface Area

67.256

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

0590-0165 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0590-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0590-0165?
Check Price and Availability of 0590-0165, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0590-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0590-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0590-0165
  • 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 0590-0165 available by request