C174-0586 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)acetamide

C174-0586 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)acetamide
C174-0586 Screening compound: N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C174-0586
N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)acetamide

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

C174-0586

Molecular Formula

C20H23N3O (C20 H23 N3 O)

Compound Name

N-(2-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)acetamide

IUPAC name

N-(2-{1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)acetamide

SMILES

CC(NCCc1nc(cccc2)c2n1Cc1c(C)ccc(C)c1)=O

InChI

InChI=1S/C20H23N3O/c1-14-8-9-15(2)17(12-14)13-23-19-7-5-4-6-18(19)22-20(23)10-11-21-16(3)24/h4-9,12H,10-11,13H2,1-3H3,(H,21,24)

InChI Key

AWLGPBLNFTVZGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04459154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.42

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

3.658

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.73

Polar Surface Area

35.569

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

6.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C174-0586 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C174-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C174-0586?
Check Price and Availability of C174-0586, 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 C174-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C174-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C174-0586
  • 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 C174-0586 available by request