0781-2438 Screening compound: (E)-1-(2-chlorophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine

0781-2438 Screening compound: (E)-1-(2-chlorophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine
0781-2438 Screening compound: (E)-1-(2-chlorophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2438
(E)-1-(2-chlorophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine

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

0781-2438

Molecular Formula

C20H13ClN2O (C20 H13 ClN2 O)

Compound Name

(E)-1-(2-chlorophenyl)-N-(2-phenyl-1,3-benzoxazol-5-yl)methanimine

IUPAC name

(E)-1-(2-chlorophenyl)-N-(2-phenyl-13-benzoxazol-5-yl)methanimine

SMILES

Clc1c(/C=N/c(cc2)cc3c2oc(-c2ccccc2)n3)cccc1

InChI

InChI=1S/C20H13ClN2O/c21-17-9-5-4-8-15(17)13-22-16-10-11-19-18(12-16)23-20(24-19)14-6-2-1-3-7-14/h1-13H

InChI Key

AYGKOOZKJDFFSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00292285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.412

Distribution Coefficient, logD

5.411

Water Solubility, LogSw

-6.15

Polar Surface Area

25.176

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0781-2438 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 0781-2438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2438?
Check Price and Availability of 0781-2438, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0781-2438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2438
  • 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 0781-2438 available by request