2239-0637 Screening compound: 2-chloro-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide

2239-0637 Screening compound: 2-chloro-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide
2239-0637 Screening compound: 2-chloro-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2239-0637
2-chloro-N-[4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-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

2239-0637

Molecular Formula

C21H13Cl2N3O4 (C21 H13 Cl2 N3 O4)

Compound Name

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

IUPAC name

2-chloro-N-[4-chloro-3-(5-methyl-13-benzoxazol-2-yl)phenyl]-5-nitrobenzamide

SMILES

Cc(cc1)cc2c1oc(-c(cc(cc1)NC(c(cc(cc3)[N+]([O-])=O)c3Cl)=O)c1Cl)n2

InChI

InChI=1S/C21H13Cl2N3O4/c1-11-2-7-19-18(8-11)25-21(30-19)15-9-12(3-5-17(15)23)24-20(27)14-10-13(26(28)29)4-6-16(14)22/h2-10H,1H3,(H,24,27)

InChI Key

UNNXDZJIQYBXAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.977

Distribution Coefficient, logD

5.879

Water Solubility, LogSw

-6.09

Polar Surface Area

73.521

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2239-0637 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 2239-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2239-0637?
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What is the minimum amount of 2239-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2239-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2239-0637
  • 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 2239-0637 available by request