0960-0283 Screening compound: 2-[(E)-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-chloro-3,5-dimethylphenol

0960-0283 Screening compound: 2-[(E)-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-chloro-3,5-dimethylphenol
0960-0283 Screening compound: 2-[(E)-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-chloro-3,5-dimethylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0960-0283
2-[(E)-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-chloro-3,5-dimethylphenol

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

0960-0283

Molecular Formula

C22H16BrClN2O2 (C22 H16 BrClN2 O2)

Compound Name

2-[(E)-{[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]-4-chloro-3,5-dimethylphenol

IUPAC name

2-[(E)-{[2-(2-bromophenyl)-13-benzoxazol-5-yl]imino}methyl]-4-chloro-35-dimethylphenol

SMILES

Cc1cc(O)c(/C=N/c(cc2)cc3c2oc(-c(cccc2)c2Br)n3)c(C)c1Cl

InChI

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

InChI Key

PEAUBWCCMUXXEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00657254

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

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.124

Distribution Coefficient, logD

6.098

Water Solubility, LogSw

-5.86

Polar Surface Area

41.724

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0960-0283 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0960-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0960-0283?
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What is the minimum amount of 0960-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0960-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0960-0283
  • 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 0960-0283 available by request