1287-0106 Screening compound: (1E,2E)-3-(3-bromophenyl)-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

1287-0106 Screening compound: (1E,2E)-3-(3-bromophenyl)-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
1287-0106 Screening compound: (1E,2E)-3-(3-bromophenyl)-N-[2-(3-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1287-0106
(1E,2E)-3-(3-bromophenyl)-N-[2-(3-methylphenyl)-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

1287-0106

Molecular Formula

C23H17BrN2O (C23 H17 BrN2 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(-c2nc(cc(cc3)/N=C/C=C/c4cccc(Br)c4)c3o2)c1

InChI

InChI=1S/C23H17BrN2O/c1-16-5-2-8-18(13-16)23-26-21-15-20(10-11-22(21)27-23)25-12-4-7-17-6-3-9-19(24)14-17/h2-15H,1H3

InChI Key

VJFQRIUSNRTOQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00808726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.3

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

6.439

Distribution Coefficient, logD

6.439

Water Solubility, LogSw

-5.86

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

4.30

References: we are preparing a list of scientific research reports with 1287-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1287-0106?
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What is the minimum amount of 1287-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1287-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1287-0106
  • 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 1287-0106 available by request