D462-0012 Screening compound: 2-chloro-N-[phenyl(pyridin-3-yl)methyl]benzamide

D462-0012 Screening compound: 2-chloro-N-[phenyl(pyridin-3-yl)methyl]benzamide
D462-0012 Screening compound: 2-chloro-N-[phenyl(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0012
2-chloro-N-[phenyl(pyridin-3-yl)methyl]benzamide

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

D462-0012

Molecular Formula

C19H15ClN2O (C19 H15 ClN2 O)

Compound Name

2-chloro-N-[phenyl(pyridin-3-yl)methyl]benzamide

IUPAC name

2-chloro-N-[phenyl(pyridin-3-yl)methyl]benzamide

SMILES

O=C(c(cccc1)c1Cl)NC(c1ccccc1)c1cnccc1

InChI

InChI=1S/C19H15ClN2O/c20-17-11-5-4-10-16(17)19(23)22-18(14-7-2-1-3-8-14)15-9-6-12-21-13-15/h1-13,18H,(H,22,23)/t18-/m0/s1

InChI Key

WVEMCZLIJXHQTK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14829991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.880

Distribution Coefficient, logD

3.876

Water Solubility, LogSw

-4.44

Polar Surface Area

33.250

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

D462-0012 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D462-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0012?
Check Price and Availability of D462-0012, 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 D462-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0012
  • 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 D462-0012 available by request