C174-0022 Screening compound: N-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]benzamide

C174-0022 Screening compound: N-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]benzamide
C174-0022 Screening compound: N-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0022
N-[(1-ethyl-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

C174-0022

Molecular Formula

C17H17N3O (C17 H17 N3 O)

Compound Name

N-[(1-ethyl-1H-1,3-benzodiazol-2-yl)methyl]benzamide

IUPAC name

N-[(1-ethyl-1H-13-benzodiazol-2-yl)methyl]benzamide

SMILES

CCn1c(cccc2)c2nc1CNC(c1ccccc1)=O

InChI

InChI=1S/C17H17N3O/c1-2-20-15-11-7-6-10-14(15)19-16(20)12-18-17(21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,21)

InChI Key

KRWKZPMUAVRGGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458849

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.081

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-3.17

Polar Surface Area

35.553

Acid Dissociation Constant (pKa)

10.47

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C174-0022 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with C174-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0022?
Check Price and Availability of C174-0022, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C174-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0022
  • 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 C174-0022 available by request