C174-0074 Screening compound: N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-4-chlorobenzamide

C174-0074 Screening compound: N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-4-chlorobenzamide
C174-0074 Screening compound: N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0074
N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-4-chlorobenzamide

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

C174-0074

Molecular Formula

C19H20ClN3O (C19 H20 ClN3 O)

Compound Name

N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-4-chlorobenzamide

IUPAC name

N-[(1-butyl-1H-13-benzodiazol-2-yl)methyl]-4-chlorobenzamide

SMILES

CCCCn1c(cccc2)c2nc1CNC(c(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H20ClN3O/c1-2-3-12-23-17-7-5-4-6-16(17)22-18(23)13-21-19(24)14-8-10-15(20)11-9-14/h4-11H,2-3,12-13H2,1H3,(H,21,24)

InChI Key

YLLRREWEXMEGFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.84

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.656

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.73

Polar Surface Area

35.807

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C174-0074 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C174-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0074?
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What is the minimum amount of C174-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0074
  • 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 C174-0074 available by request