D491-9101 Screening compound: 4-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)benzamide

D491-9101 Screening compound: 4-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)benzamide
D491-9101 Screening compound: 4-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-9101
4-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)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

D491-9101

Molecular Formula

C21H20ClN3O (C21 H20 ClN3 O)

Compound Name

4-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)benzamide

IUPAC name

4-chloro-N-{[4-(dimethylamino)phenyl]methyl}-N-(pyridin-2-yl)benzamide

SMILES

CN(C)c1ccc(CN(C(c(cc2)ccc2Cl)=O)c2ncccc2)cc1

InChI

InChI=1S/C21H20ClN3O/c1-24(2)19-12-6-16(7-13-19)15-25(20-5-3-4-14-23-20)21(26)17-8-10-18(22)11-9-17/h3-14H,15H2,1-2H3

InChI Key

IUIMXIUGZCSPIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12920761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.761

Water Solubility, LogSw

-4.93

Polar Surface Area

26.906

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D491-9101 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D491-9101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-9101?
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What is the minimum amount of D491-9101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-9101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-9101
  • 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 D491-9101 available by request