8002-8906 Screening compound: 4-[(E)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate

8002-8906 Screening compound: 4-[(E)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate
8002-8906 Screening compound: 4-[(E)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-8906
4-[(E)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 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

8002-8906

Molecular Formula

C21H16ClN3O3 (C21 H16 ClN3 O3)

Compound Name

4-[(E)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate

IUPAC name

4-[(E)-{[(6-methylpyridin-3-yl)formamido]imino}methyl]phenyl 2-chlorobenzoate

SMILES

Cc(cc1)ncc1C(N/N=C/c(cc1)ccc1OC(c(cccc1)c1Cl)=O)=O

InChI

InChI=1S/C21H16ClN3O3/c1-14-6-9-16(13-23-14)20(26)25-24-12-15-7-10-17(11-8-15)28-21(27)18-4-2-3-5-19(18)22/h2-13H,1H3,(H,25,26)

InChI Key

WYQRZDQWXUTZTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00351005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.246

Distribution Coefficient, logD

4.223

Water Solubility, LogSw

-4.56

Polar Surface Area

64.876

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8002-8906 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 8002-8906 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-8906?
Check Price and Availability of 8002-8906, 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 8002-8906 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-8906
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-8906
  • 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 8002-8906 available by request