1315-0436 Screening compound: (1E,2E)-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2-chlorophenyl)prop-2-en-1-imine

1315-0436 Screening compound: (1E,2E)-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2-chlorophenyl)prop-2-en-1-imine
1315-0436 Screening compound: (1E,2E)-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2-chlorophenyl)prop-2-en-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1315-0436
(1E,2E)-N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-3-(2-chlorophenyl)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

1315-0436

Molecular Formula

C22H14BrClN2O (C22 H14 BrClN2 O)

Compound Name

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

IUPAC name

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

SMILES

Clc1c(/C=C/C=N/c(cc2)cc3c2oc(-c2cccc(Br)c2)n3)cccc1

InChI

InChI=1S/C22H14BrClN2O/c23-17-8-3-6-16(13-17)22-26-20-14-18(10-11-21(20)27-22)25-12-4-7-15-5-1-2-9-19(15)24/h1-14H

InChI Key

BTYMLZPPNWAYDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00645710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.72

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

6.440

Distribution Coefficient, logD

6.440

Water Solubility, LogSw

-6.60

Polar Surface Area

25.807

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1315-0436 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 1315-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1315-0436?
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What is the minimum amount of 1315-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1315-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1315-0436
  • 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 1315-0436 available by request