1287-0100 Screening compound: (1E,2E)-3-(3-bromophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

1287-0100 Screening compound: (1E,2E)-3-(3-bromophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
1287-0100 Screening compound: (1E,2E)-3-(3-bromophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1287-0100
(1E,2E)-3-(3-bromophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

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

1287-0100

Molecular Formula

C24H19BrN2O (C24 H19 BrN2 O)

Compound Name

(1E,2E)-3-(3-bromophenyl)-N-[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

IUPAC name

(1E2E)-3-(3-bromophenyl)-N-[2-(35-dimethylphenyl)-13-benzoxazol-5-yl]prop-2-en-1-imine

SMILES

Cc1cc(-c2nc(cc(cc3)/N=C/C=C/c4cccc(Br)c4)c3o2)cc(C)c1

InChI

InChI=1S/C24H19BrN2O/c1-16-11-17(2)13-19(12-16)24-27-22-15-21(8-9-23(22)28-24)26-10-4-6-18-5-3-7-20(25)14-18/h3-15H,1-2H3

InChI Key

WJEZRRVWHPSCES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00753653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.795

Distribution Coefficient, logD

6.795

Water Solubility, LogSw

-5.90

Polar Surface Area

25.807

Acid Dissociation Constant (pKa)

28.35

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 1287-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1287-0100?
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What is the minimum amount of 1287-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1287-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1287-0100
  • 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 1287-0100 available by request