8012-9460 Screening compound: N'-(4-methylphenyl)-N-(pyridin-2-yl)ethanediamide

8012-9460 Screening compound: N'-(4-methylphenyl)-N-(pyridin-2-yl)ethanediamide
8012-9460 Screening compound: N'-(4-methylphenyl)-N-(pyridin-2-yl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9460
N'-(4-methylphenyl)-N-(pyridin-2-yl)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

8012-9460

Molecular Formula

C14H13N3O2 (C14 H13 N3 O2)

Compound Name

N'-(4-methylphenyl)-N-(pyridin-2-yl)ethanediamide

IUPAC name

N'-(4-methylphenyl)-N-(pyridin-2-yl)ethanediamide

SMILES

Cc(cc1)ccc1NC(C(Nc1ncccc1)=O)=O

InChI

InChI=1S/C14H13N3O2/c1-10-5-7-11(8-6-10)16-13(18)14(19)17-12-4-2-3-9-15-12/h2-9H,1H3,(H,16,18)(H,15,17,19)

InChI Key

DRTAHNRKUXXYNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00858283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.160

Water Solubility, LogSw

-2.85

Polar Surface Area

56.307

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-0.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8012-9460 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-9460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9460?
Check Price and Availability of 8012-9460, 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 8012-9460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9460
  • 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 8012-9460 available by request