8004-4467 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]methanimine

8004-4467 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]methanimine
8004-4467 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4467
(E)-1-(4-chloro-3-nitrophenyl)-N-[2-(pyridin-4-yl)-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

8004-4467

Molecular Formula

C19H11ClN4O3 (C19 H11 ClN4 O3)

Compound Name

(E)-1-(4-chloro-3-nitrophenyl)-N-[2-(pyridin-4-yl)-1,3-benzoxazol-5-yl]methanimine

IUPAC name

(E)-1-(4-chloro-3-nitrophenyl)-N-[2-(pyridin-4-yl)-13-benzoxazol-5-yl]methanimine

SMILES

[O-][N+](c(cc(/C=N/c(cc1)cc2c1oc(-c1ccncc1)n2)cc1)c1Cl)=O

InChI

InChI=1S/C19H11ClN4O3/c20-15-3-1-12(9-17(15)24(25)26)11-22-14-2-4-18-16(10-14)23-19(27-18)13-5-7-21-8-6-13/h1-11H

InChI Key

WTXCEAGILAIDFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.77

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-4.54

Polar Surface Area

67.685

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-4467 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8004-4467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4467?
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What is the minimum amount of 8004-4467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4467
  • 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 8004-4467 available by request