C301-4580 Screening compound: 4-[(1H-1,3-benzodiazol-1-yl)methyl]benzonitrile

C301-4580 Screening compound: 4-[(1H-1,3-benzodiazol-1-yl)methyl]benzonitrile
C301-4580 Screening compound: 4-[(1H-1,3-benzodiazol-1-yl)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-4580
4-[(1H-1,3-benzodiazol-1-yl)methyl]benzonitrile

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

C301-4580

Molecular Formula

C15H11N3 (C15 H11 N3)

Compound Name

4-[(1H-1,3-benzodiazol-1-yl)methyl]benzonitrile

IUPAC name

4-[(1H-13-benzodiazol-1-yl)methyl]benzonitrile

SMILES

N#Cc1ccc(Cn2c(cccc3)c3nc2)cc1

InChI

InChI=1S/C15H11N3/c16-9-12-5-7-13(8-6-12)10-18-11-17-14-3-1-2-4-15(14)18/h1-8,11H,10H2

InChI Key

KZMYEQMVROHICO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02596562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

233.27

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.477

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-2.35

Polar Surface Area

27.479

Acid Dissociation Constant (pKa)

22.97

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

C301-4580 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

Anti-Aging Library (44940 compounds)

CORONAVIRUS Library (20774 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with C301-4580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-4580?
Check Price and Availability of C301-4580, 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 C301-4580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-4580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-4580
  • 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 C301-4580 available by request