C174-0086 Screening compound: N-({1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)benzamide

C174-0086 Screening compound: N-({1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)benzamide
C174-0086 Screening compound: N-({1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0086
N-({1-[(2-methylphenyl)methyl]-1H-1,3-benzodiazol-2-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

C174-0086

Molecular Formula

C23H21N3O (C23 H21 N3 O)

Compound Name

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

IUPAC name

N-({1-[(2-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}methyl)benzamide

SMILES

Cc1c(Cn2c(cccc3)c3nc2CNC(c2ccccc2)=O)cccc1

InChI

InChI=1S/C23H21N3O/c1-17-9-5-6-12-19(17)16-26-21-14-8-7-13-20(21)25-22(26)15-24-23(27)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3,(H,24,27)

InChI Key

MPWDRGSQNCCNAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.44

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

5.002

Distribution Coefficient, logD

5.001

Water Solubility, LogSw

-4.66

Polar Surface Area

35.557

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C174-0086 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C174-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0086?
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What is the minimum amount of C174-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0086
  • 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 C174-0086 available by request