1287-0109 Screening compound: (1E,2E)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(3-bromophenyl)prop-2-en-1-imine

1287-0109 Screening compound: (1E,2E)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(3-bromophenyl)prop-2-en-1-imine
1287-0109 Screening compound: (1E,2E)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(3-bromophenyl)prop-2-en-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1287-0109
(1E,2E)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-3-(3-bromophenyl)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

1287-0109

Molecular Formula

C22H15BrN2O (C22 H15 BrN2 O)

Compound Name

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

IUPAC name

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

SMILES

Brc1cc(/C=C/C=N/c2cc(-c3nc(cccc4)c4o3)ccc2)ccc1

InChI

InChI=1S/C22H15BrN2O/c23-18-9-3-6-16(14-18)7-5-13-24-19-10-4-8-17(15-19)22-25-20-11-1-2-12-21(20)26-22/h1-15H

InChI Key

LWHCEAVWTOIXBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.28

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

6.208

Distribution Coefficient, logD

6.208

Water Solubility, LogSw

-6.24

Polar Surface Area

25.807

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1287-0109 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1287-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1287-0109?
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What is the minimum amount of 1287-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1287-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1287-0109
  • 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 1287-0109 available by request