5639-0122 Screening compound: (E)-[phenyl(pyridin-4-yl)methylidene]amino 2-chlorobenzoate

5639-0122 Screening compound: (E)-[phenyl(pyridin-4-yl)methylidene]amino 2-chlorobenzoate
5639-0122 Screening compound: (E)-[phenyl(pyridin-4-yl)methylidene]amino 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5639-0122
(E)-[phenyl(pyridin-4-yl)methylidene]amino 2-chlorobenzoate

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

5639-0122

Molecular Formula

C19H13ClN2O2 (C19 H13 ClN2 O2)

Compound Name

(E)-[phenyl(pyridin-4-yl)methylidene]amino 2-chlorobenzoate

IUPAC name

(E)-[phenyl(pyridin-4-yl)methylidene]amino 2-chlorobenzoate

SMILES

O=C(c(cccc1)c1Cl)O/N=C(\c1ccccc1)/c1ccncc1

InChI

InChI=1S/C19H13ClN2O2/c20-17-9-5-4-8-16(17)19(23)24-22-18(14-6-2-1-3-7-14)15-10-12-21-13-11-15/h1-13H

InChI Key

UQAKAWNXRNJZLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02315975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.563

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-4.07

Polar Surface Area

40.935

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5639-0122 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5639-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5639-0122?
Check Price and Availability of 5639-0122, 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 5639-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5639-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5639-0122
  • 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 5639-0122 available by request