L679-0492 Screening compound: 4-{[3-(3-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

L679-0492 Screening compound: 4-{[3-(3-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
L679-0492 Screening compound: 4-{[3-(3-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L679-0492
4-{[3-(3-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

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

L679-0492

Molecular Formula

C26H25F3N6O (C26 H25 F3 N6 O)

Compound Name

4-{[3-(3-methylphenyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

IUPAC name

4-{[3-(3-methylphenyl)-3H-imidazo[45-b]pyridin-2-yl]methyl}-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

Cc1cccc(-n2c(nccc3)c3nc2CN(CC2)CCN2C(Nc2cccc(C(F)(F)F)c2)=O)c1

InChI

InChI=1S/C26H25F3N6O/c1-18-5-2-8-21(15-18)35-23(32-22-9-4-10-30-24(22)35)17-33-11-13-34(14-12-33)25(36)31-20-7-3-6-19(16-20)26(27,28)29/h2-10,15-16H,11-14,17H2,1H3,(H,31,36)

InChI Key

NWBMGHCFMPNQOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27469205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.23

Polar Surface Area

50.803

Acid Dissociation Constant (pKa)

11.62

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

L679-0492 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PI3K-Targeted Library (17255 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
  • Ion Channels
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with L679-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L679-0492?
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What is the minimum amount of L679-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L679-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L679-0492
  • 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 L679-0492 available by request