M414-0465 Screening compound: 2-(1H-indol-3-yl)-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}acetamide

M414-0465 Screening compound: 2-(1H-indol-3-yl)-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}acetamide
M414-0465 Screening compound: 2-(1H-indol-3-yl)-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M414-0465
2-(1H-indol-3-yl)-N-{[1-(propan-2-yl)-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

M414-0465

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

2-(1H-indol-3-yl)-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}acetamide

IUPAC name

2-(1H-indol-3-yl)-N-{[1-(propan-2-yl)-1H-13-benzodiazol-5-yl]methyl}acetamide

SMILES

CC(C)n1c(ccc(CNC(Cc2c[nH]c3c2cccc3)=O)c2)c2nc1

InChI

InChI=1S/C21H22N4O/c1-14(2)25-13-24-19-9-15(7-8-20(19)25)11-23-21(26)10-16-12-22-18-6-4-3-5-17(16)18/h3-9,12-14,22H,10-11H2,1-2H3,(H,23,26)

InChI Key

WUSDHTJBIWRONH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.25

Polar Surface Area

45.557

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

M414-0465 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with M414-0465 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M414-0465?
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What is the minimum amount of M414-0465 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M414-0465
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M414-0465
  • 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 M414-0465 available by request