0831-0573 Screening compound: N-(2-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

0831-0573 Screening compound: N-(2-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide
0831-0573 Screening compound: N-(2-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0573
N-(2-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

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

0831-0573

Molecular Formula

C17H12ClN3O3S (C17 H12 ClN3 O3 S)

Compound Name

N-(2-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxamide

IUPAC name

N-(2-chlorophenyl)-2-methyl-4-(4-nitrophenyl)-13-thiazole-5-carboxamide

SMILES

Cc1nc(-c(cc2)ccc2[N+]([O-])=O)c(C(Nc(cccc2)c2Cl)=O)s1

InChI

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

InChI Key

VBHREXIPLSUMBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00562953

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

4.286

Distribution Coefficient, logD

4.286

Water Solubility, LogSw

-4.42

Polar Surface Area

66.324

Acid Dissociation Constant (pKa)

10.75

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 0831-0573 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0573?
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What is the minimum amount of 0831-0573 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0573
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0573
  • 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 0831-0573 available by request