M414-1970 Screening compound: N-[(2-ethyl-1-methyl-1H-1,3-benzodiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide

M414-1970 Screening compound: N-[(2-ethyl-1-methyl-1H-1,3-benzodiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide
M414-1970 Screening compound: N-[(2-ethyl-1-methyl-1H-1,3-benzodiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M414-1970
N-[(2-ethyl-1-methyl-1H-1,3-benzodiazol-5-yl)methyl]-2-(2-methylphenyl)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

M414-1970

Molecular Formula

C20H23N3O (C20 H23 N3 O)

Compound Name

N-[(2-ethyl-1-methyl-1H-1,3-benzodiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide

IUPAC name

N-[(2-ethyl-1-methyl-1H-13-benzodiazol-5-yl)methyl]-2-(2-methylphenyl)acetamide

SMILES

CCc1nc(cc(CNC(Cc2c(C)cccc2)=O)cc2)c2n1C

InChI

InChI=1S/C20H23N3O/c1-4-19-22-17-11-15(9-10-18(17)23(19)3)13-21-20(24)12-16-8-6-5-7-14(16)2/h5-11H,4,12-13H2,1-3H3,(H,21,24)

InChI Key

RXRBMGGSTYXEJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.631

Water Solubility, LogSw

-3.76

Polar Surface Area

36.425

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

6.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

M414-1970 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M414-1970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M414-1970?
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What is the minimum amount of M414-1970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M414-1970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M414-1970
  • 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 M414-1970 available by request