C174-0076 Screening compound: N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-2-methoxybenzamide

C174-0076 Screening compound: N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-2-methoxybenzamide
C174-0076 Screening compound: N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0076
N-[(1-butyl-1H-1,3-benzodiazol-2-yl)methyl]-2-methoxybenzamide

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

C174-0076

Molecular Formula

C20H23N3O2 (C20 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1c(cccc2)c2nc1CNC(c(cccc1)c1OC)=O

InChI

InChI=1S/C20H23N3O2/c1-3-4-13-23-17-11-7-6-10-16(17)22-19(23)14-21-20(24)15-9-5-8-12-18(15)25-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,24)

InChI Key

NNIUPLDSBDFQAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.185

Distribution Coefficient, logD

4.178

Water Solubility, LogSw

-4.18

Polar Surface Area

43.437

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C174-0076 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C174-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0076?
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What is the minimum amount of C174-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0076
  • 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 C174-0076 available by request