8004-4436 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]methanimine

8004-4436 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]methanimine
8004-4436 Screening compound: (E)-1-(4-chloro-3-nitrophenyl)-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4436
(E)-1-(4-chloro-3-nitrophenyl)-N-[2-(3-chlorophenyl)-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

8004-4436

Molecular Formula

C20H11Cl2N3O3 (C20 H11 Cl2 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc(/C=N/c(cc1)cc2c1oc(-c1cc(Cl)ccc1)n2)cc1)c1Cl)=O

InChI

InChI=1S/C20H11Cl2N3O3/c21-14-3-1-2-13(9-14)20-24-17-10-15(5-7-19(17)28-20)23-11-12-4-6-16(22)18(8-12)25(26)27/h1-11H

InChI Key

BNEGUBYXCOBFHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00739030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.653

Distribution Coefficient, logD

5.653

Water Solubility, LogSw

-6.21

Polar Surface Area

58.257

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8004-4436 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 8004-4436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4436?
Check Price and Availability of 8004-4436, 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 8004-4436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4436
  • 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 8004-4436 available by request