0485-0031 Screening compound: 2-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-5-nitrobenzamide

0485-0031 Screening compound: 2-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-5-nitrobenzamide
0485-0031 Screening compound: 2-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0485-0031
2-chloro-N-[4-(4-methylphenyl)-5-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

0485-0031

Molecular Formula

C23H16ClN3O3S (C23 H16 ClN3 O3 S)

Compound Name

2-chloro-N-[4-(4-methylphenyl)-5-phenyl-1,3-thiazol-2-yl]-5-nitrobenzamide

IUPAC name

2-chloro-N-[4-(4-methylphenyl)-5-phenyl-13-thiazol-2-yl]-5-nitrobenzamide

SMILES

Cc(cc1)ccc1-c1c(-c2ccccc2)sc(NC(c(cc(cc2)[N+]([O-])=O)c2Cl)=O)n1

InChI

InChI=1S/C23H16ClN3O3S/c1-14-7-9-15(10-8-14)20-21(16-5-3-2-4-6-16)31-23(25-20)26-22(28)18-13-17(27(29)30)11-12-19(18)24/h2-13H,1H3,(H,25,26,28)

InChI Key

IZWHQPKWAKLYCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00986968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.92

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

6.728

Distribution Coefficient, logD

6.725

Water Solubility, LogSw

-6.33

Polar Surface Area

66.985

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

0485-0031 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0485-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0485-0031?
Check Price and Availability of 0485-0031, 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 0485-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0485-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0485-0031
  • 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 0485-0031 available by request