2154-0076 Screening compound: 5-bromo-2-chloro-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

2154-0076 Screening compound: 5-bromo-2-chloro-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
2154-0076 Screening compound: 5-bromo-2-chloro-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0076
5-bromo-2-chloro-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

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

2154-0076

Molecular Formula

C22H16BrClN2O2 (C22 H16 BrClN2 O2)

Compound Name

5-bromo-2-chloro-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

IUPAC name

5-bromo-2-chloro-N-[4-(57-dimethyl-13-benzoxazol-2-yl)phenyl]benzamide

SMILES

Cc(cc1C)cc2c1oc(-c(cc1)ccc1NC(c(cc(cc1)Br)c1Cl)=O)n2

InChI

InChI=1S/C22H16BrClN2O2/c1-12-9-13(2)20-19(10-12)26-22(28-20)14-3-6-16(7-4-14)25-21(27)17-11-15(23)5-8-18(17)24/h3-11H,1-2H3,(H,25,27)

InChI Key

JSLXJFHTQCSXCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.74

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.696

Distribution Coefficient, logD

6.695

Water Solubility, LogSw

-6.45

Polar Surface Area

40.373

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2154-0076 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2154-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0076?
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What is the minimum amount of 2154-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0076
  • 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 2154-0076 available by request