1502-0558 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-4-nitrobenzamide

1502-0558 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-4-nitrobenzamide
1502-0558 Screening compound: N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1502-0558
N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-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

1502-0558

Molecular Formula

C17H12ClN3O3S (C17 H12 ClN3 O3 S)

Compound Name

N-{5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl}-4-nitrobenzamide

IUPAC name

N-{5-[(4-chlorophenyl)methyl]-13-thiazol-2-yl}-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc1ncc(Cc(cc2)ccc2Cl)s1)=O)=O

InChI

InChI=1S/C17H12ClN3O3S/c18-13-5-1-11(2-6-13)9-15-10-19-17(25-15)20-16(22)12-3-7-14(8-4-12)21(23)24/h1-8,10H,9H2,(H,19,20,22)

InChI Key

MACRVMWNMHNKFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00648455

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.916

Water Solubility, LogSw

-5.40

Polar Surface Area

67.008

Acid Dissociation Constant (pKa)

8.15

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1502-0558 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1502-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1502-0558?
Check Price and Availability of 1502-0558, 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 1502-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1502-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1502-0558
  • 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 1502-0558 available by request