M414-3302 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]acetamide

M414-3302 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]acetamide
M414-3302 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M414-3302
2-(4-chloro-2-methylphenoxy)-N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]acetamide

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

M414-3302

Molecular Formula

C20H22ClN3O2 (C20 H22 ClN3 O2)

Compound Name

2-(4-chloro-2-methylphenoxy)-N-[(1-propyl-1H-1,3-benzodiazol-5-yl)methyl]acetamide

IUPAC name

2-(4-chloro-2-methylphenoxy)-N-[(1-propyl-1H-13-benzodiazol-5-yl)methyl]acetamide

SMILES

CCCn1c(ccc(CNC(COc(cc2)c(C)cc2Cl)=O)c2)c2nc1

InChI

InChI=1S/C20H22ClN3O2/c1-3-8-24-13-23-17-10-15(4-6-18(17)24)11-22-20(25)12-26-19-7-5-16(21)9-14(19)2/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H,22,25)

InChI Key

ZCPAILYGXBMZIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.094

Distribution Coefficient, logD

4.094

Water Solubility, LogSw

-4.36

Polar Surface Area

42.459

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

M414-3302 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M414-3302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M414-3302?
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What is the minimum amount of M414-3302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M414-3302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M414-3302
  • 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 M414-3302 available by request