M414-0485 Screening compound: 3-methoxy-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}benzamide

M414-0485 Screening compound: 3-methoxy-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}benzamide
M414-0485 Screening compound: 3-methoxy-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M414-0485
3-methoxy-N-{[1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl]methyl}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

M414-0485

Molecular Formula

C19H21N3O2 (C19 H21 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1c(ccc(CNC(c2cc(OC)ccc2)=O)c2)c2nc1

InChI

InChI=1S/C19H21N3O2/c1-13(2)22-12-21-17-9-14(7-8-18(17)22)11-20-19(23)15-5-4-6-16(10-15)24-3/h4-10,12-13H,11H2,1-3H3,(H,20,23)

InChI Key

MFKKLZRQQZCQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27540436

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

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

2.996

Distribution Coefficient, logD

2.996

Water Solubility, LogSw

-3.35

Polar Surface Area

43.443

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M414-0485 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M414-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M414-0485?
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What is the minimum amount of M414-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M414-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M414-0485
  • 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 M414-0485 available by request