M346-0072 Screening compound: (2E)-3-(2-chlorophenyl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}prop-2-enamide

M346-0072 Screening compound: (2E)-3-(2-chlorophenyl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}prop-2-enamide
M346-0072 Screening compound: (2E)-3-(2-chlorophenyl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M346-0072
(2E)-3-(2-chlorophenyl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}prop-2-enamide

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

M346-0072

Molecular Formula

C18H15ClN4O (C18 H15 ClN4 O)

Compound Name

(2E)-3-(2-chlorophenyl)-N-{4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}prop-2-enamide

IUPAC name

(2E)-3-(2-chlorophenyl)-N-{4-[(1H-124-triazol-1-yl)methyl]phenyl}prop-2-enamide

SMILES

O=C(/C=C/c(cccc1)c1Cl)Nc1ccc(Cn2ncnc2)cc1

InChI

InChI=1S/C18H15ClN4O/c19-17-4-2-1-3-15(17)7-10-18(24)22-16-8-5-14(6-9-16)11-23-13-20-12-21-23/h1-10,12-13H,11H2,(H,22,24)

InChI Key

HDLNXOUIMGCOTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27537653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.46

Polar Surface Area

48.093

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

M346-0072 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with M346-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M346-0072?
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What is the minimum amount of M346-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M346-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M346-0072
  • 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 M346-0072 available by request