0389-0753 Screening compound: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide

0389-0753 Screening compound: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide
0389-0753 Screening compound: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0389-0753
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-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

0389-0753

Molecular Formula

C18H15N3O3S (C18 H15 N3 O3 S)

Compound Name

N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-nitrobenzamide

IUPAC name

N-[4-(24-dimethylphenyl)-13-thiazol-2-yl]-3-nitrobenzamide

SMILES

Cc(cc1)cc(C)c1-c1csc(NC(c2cc([N+]([O-])=O)ccc2)=O)n1

InChI

InChI=1S/C18H15N3O3S/c1-11-6-7-15(12(2)8-11)16-10-25-18(19-16)20-17(22)13-4-3-5-14(9-13)21(23)24/h3-10H,1-2H3,(H,19,20,22)

InChI Key

DAPHZLNNINSOHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00985571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.4

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

5.221

Distribution Coefficient, logD

5.220

Water Solubility, LogSw

-5.04

Polar Surface Area

66.486

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

0389-0753 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0389-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0389-0753?
Check Price and Availability of 0389-0753, 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 0389-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0389-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0389-0753
  • 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 0389-0753 available by request