2154-0072 Screening compound: 5-bromo-2-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

2154-0072 Screening compound: 5-bromo-2-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide
2154-0072 Screening compound: 5-bromo-2-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0072
5-bromo-2-chloro-N-[4-(5,6-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

2154-0072

Molecular Formula

C22H16BrClN2O2 (C22 H16 BrClN2 O2)

Compound Name

5-bromo-2-chloro-N-[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]benzamide

IUPAC name

5-bromo-2-chloro-N-[4-(56-dimethyl-13-benzoxazol-2-yl)phenyl]benzamide

SMILES

Cc(c(C)c1)cc2c1oc(-c(cc1)ccc1NC(c(cc(cc1)Br)c1Cl)=O)n2

InChI

InChI=1S/C22H16BrClN2O2/c1-12-9-19-20(10-13(12)2)28-22(26-19)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

PKLFPKHHLMZKIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839820

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

6.768

Distribution Coefficient, logD

6.766

Water Solubility, LogSw

-6.45

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

2154-0072 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2154-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0072?
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What is the minimum amount of 2154-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0072
  • 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 2154-0072 available by request