4191-3362 Screening compound: N-(2,5-dimethylphenyl)-N'-[(pyridin-2-yl)methyl]ethanediamide

4191-3362 Screening compound: N-(2,5-dimethylphenyl)-N'-[(pyridin-2-yl)methyl]ethanediamide
4191-3362 Screening compound: N-(2,5-dimethylphenyl)-N'-[(pyridin-2-yl)methyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4191-3362
N-(2,5-dimethylphenyl)-N'-[(pyridin-2-yl)methyl]ethanediamide

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

4191-3362

Molecular Formula

C16H17N3O2 (C16 H17 N3 O2)

Compound Name

N-(2,5-dimethylphenyl)-N'-[(pyridin-2-yl)methyl]ethanediamide

IUPAC name

N-(25-dimethylphenyl)-N'-[(pyridin-2-yl)methyl]ethanediamide

SMILES

Cc1cc(NC(C(NCc2ncccc2)=O)=O)c(C)cc1

InChI

InChI=1S/C16H17N3O2/c1-11-6-7-12(2)14(9-11)19-16(21)15(20)18-10-13-5-3-4-8-17-13/h3-9H,10H2,1-2H3,(H,18,20)(H,19,21)

InChI Key

UCZYSLWYBDHDBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01061077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.514

Distribution Coefficient, logD

1.460

Water Solubility, LogSw

-2.13

Polar Surface Area

56.860

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

2.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4191-3362 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4191-3362 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4191-3362?
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What is the minimum amount of 4191-3362 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4191-3362
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4191-3362
  • 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 4191-3362 available by request