2154-0443 Screening compound: 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide

2154-0443 Screening compound: 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
2154-0443 Screening compound: 2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0443
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-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

2154-0443

Molecular Formula

C20H11Cl2N3O4 (C20 H11 Cl2 N3 O4)

Compound Name

2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide

IUPAC name

2-chloro-N-[2-(2-chlorophenyl)-13-benzoxazol-5-yl]-5-nitrobenzamide

SMILES

[O-][N+](c(cc1)cc(C(Nc(cc2)cc3c2oc(-c(cccc2)c2Cl)n3)=O)c1Cl)=O

InChI

InChI=1S/C20H11Cl2N3O4/c21-15-4-2-1-3-13(15)20-24-17-9-11(5-8-18(17)29-20)23-19(26)14-10-12(25(27)28)6-7-16(14)22/h1-10H,(H,23,26)

InChI Key

BDBBRIRVGCIWPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.23

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

5.425

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-5.97

Polar Surface Area

73.521

Acid Dissociation Constant (pKa)

7.88

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2154-0443 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 2154-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0443?
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What is the minimum amount of 2154-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0443
  • 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 2154-0443 available by request