D462-0949 Screening compound: N-[(4-chlorophenyl)(pyridin-3-yl)methyl]-3,4-dimethoxybenzamide

D462-0949 Screening compound: N-[(4-chlorophenyl)(pyridin-3-yl)methyl]-3,4-dimethoxybenzamide
D462-0949 Screening compound: N-[(4-chlorophenyl)(pyridin-3-yl)methyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D462-0949
N-[(4-chlorophenyl)(pyridin-3-yl)methyl]-3,4-dimethoxybenzamide

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

D462-0949

Molecular Formula

C21H19ClN2O3 (C21 H19 ClN2 O3)

Compound Name

N-[(4-chlorophenyl)(pyridin-3-yl)methyl]-3,4-dimethoxybenzamide

IUPAC name

N-[(4-chlorophenyl)(pyridin-3-yl)methyl]-34-dimethoxybenzamide

SMILES

COc(ccc(C(NC(c(cc1)ccc1Cl)c1cnccc1)=O)c1)c1OC

InChI

InChI=1S/C21H19ClN2O3/c1-26-18-10-7-15(12-19(18)27-2)21(25)24-20(16-4-3-11-23-13-16)14-5-8-17(22)9-6-14/h3-13,20H,1-2H3,(H,24,25)/t20-/m0/s1

InChI Key

AKUJAHJNTNCLIB-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14830075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.85

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.331

Water Solubility, LogSw

-4.04

Polar Surface Area

48.511

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

D462-0949 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

DGK Inhibitors Library (10558 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D462-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D462-0949?
Check Price and Availability of D462-0949, 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 D462-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D462-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D462-0949
  • 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 D462-0949 available by request