M346-0163 Screening compound: 3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide

M346-0163 Screening compound: 3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide
M346-0163 Screening compound: 3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M346-0163
3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}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

M346-0163

Molecular Formula

C17H13N5O (C17 H13 N5 O)

Compound Name

3-cyano-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}benzamide

IUPAC name

3-cyano-N-{4-[(1H-124-triazol-1-yl)methyl]phenyl}benzamide

SMILES

N#Cc1cccc(C(Nc2ccc(Cn3ncnc3)cc2)=O)c1

InChI

InChI=1S/C17H13N5O/c18-9-14-2-1-3-15(8-14)17(23)21-16-6-4-13(5-7-16)10-22-12-19-11-20-22/h1-8,11-12H,10H2,(H,21,23)

InChI Key

ISSQFYJXNKTNIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12225703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.487

Distribution Coefficient, logD

1.486

Water Solubility, LogSw

-2.04

Polar Surface Area

65.363

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

M346-0163 in Drug Discovery

Included in Screening Libraries

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

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M346-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M346-0163?
Check Price and Availability of M346-0163, 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 M346-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M346-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M346-0163
  • 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 M346-0163 available by request