4031-0149 Screening compound: N'-[(pyridin-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]ethanediamide

4031-0149 Screening compound: N'-[(pyridin-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]ethanediamide
4031-0149 Screening compound: N'-[(pyridin-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4031-0149
N'-[(pyridin-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]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

4031-0149

Molecular Formula

C15H12F3N3O2 (C15 H12 F3 N3 O2)

Compound Name

N'-[(pyridin-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]ethanediamide

IUPAC name

N'-[(pyridin-4-yl)methyl]-N-[3-(trifluoromethyl)phenyl]ethanediamide

SMILES

O=C(C(Nc1cccc(C(F)(F)F)c1)=O)NCc1ccncc1

InChI

InChI=1S/C15H12F3N3O2/c16-15(17,18)11-2-1-3-12(8-11)21-14(23)13(22)20-9-10-4-6-19-7-5-10/h1-8H,9H2,(H,20,22)(H,21,23)

InChI Key

LSGHMNKGBGEVAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01153324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.871

Distribution Coefficient, logD

0.454

Water Solubility, LogSw

-2.06

Polar Surface Area

57.443

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4031-0149 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 4031-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4031-0149?
Check Price and Availability of 4031-0149, 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 4031-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4031-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4031-0149
  • 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 4031-0149 available by request