2154-0148 Screening compound: 5-bromo-2-chloro-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide

2154-0148 Screening compound: 5-bromo-2-chloro-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
2154-0148 Screening compound: 5-bromo-2-chloro-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2154-0148
5-bromo-2-chloro-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]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

2154-0148

Molecular Formula

C21H14BrClN2O2 (C21 H14 BrClN2 O2)

Compound Name

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

IUPAC name

5-bromo-2-chloro-N-[2-(4-methylphenyl)-13-benzoxazol-5-yl]benzamide

SMILES

Cc(cc1)ccc1-c1nc(cc(cc2)NC(c(cc(cc3)Br)c3Cl)=O)c2o1

InChI

InChI=1S/C21H14BrClN2O2/c1-12-2-4-13(5-3-12)21-25-18-11-15(7-9-19(18)27-21)24-20(26)16-10-14(22)6-8-17(16)23/h2-11H,1H3,(H,24,26)

InChI Key

DTIWCVQHKOGZEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.71

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

6.400

Distribution Coefficient, logD

6.323

Water Solubility, LogSw

-6.30

Polar Surface Area

40.140

Acid Dissociation Constant (pKa)

8.12

Base Dissociation Constant (pKb)

-1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

2154-0148 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2154-0148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2154-0148?
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What is the minimum amount of 2154-0148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2154-0148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2154-0148
  • 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 2154-0148 available by request