2276-0052 Screening compound: methyl 2-(2-chloro-5-nitrobenzamido)-4-methyl-1,3-thiazole-5-carboxylate

2276-0052 Screening compound: methyl 2-(2-chloro-5-nitrobenzamido)-4-methyl-1,3-thiazole-5-carboxylate
2276-0052 Screening compound: methyl 2-(2-chloro-5-nitrobenzamido)-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2276-0052
methyl 2-(2-chloro-5-nitrobenzamido)-4-methyl-1,3-thiazole-5-carboxylate

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

2276-0052

Molecular Formula

C13H10ClN3O5S (C13 H10 ClN3 O5 S)

Compound Name

methyl 2-(2-chloro-5-nitrobenzamido)-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

methyl 2-(2-chloro-5-nitrobenzamido)-4-methyl-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OC)=O)sc(NC(c(cc(cc2)[N+]([O-])=O)c2Cl)=O)n1

InChI

InChI=1S/C13H10ClN3O5S/c1-6-10(12(19)22-2)23-13(15-6)16-11(18)8-5-7(17(20)21)3-4-9(8)14/h3-5H,1-2H3,(H,15,16,18)

InChI Key

MTHJKUUABFJAGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01822605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.76

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.293

Distribution Coefficient, logD

0.617

Water Solubility, LogSw

-3.86

Polar Surface Area

88.508

Acid Dissociation Constant (pKa)

4.73

Base Dissociation Constant (pKb)

0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

2276-0052 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2276-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2276-0052?
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What is the minimum amount of 2276-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2276-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2276-0052
  • 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 2276-0052 available by request