S695-2445 Screening compound: 4-{[3-(1H-IMIDAZOL-1-YL)-1-AZETANYL]METHYL}BENZONITRILE

S695-2445 Screening compound: 4-{[3-(1H-IMIDAZOL-1-YL)-1-AZETANYL]METHYL}BENZONITRILE
S695-2445 Screening compound: 4-{[3-(1H-IMIDAZOL-1-YL)-1-AZETANYL]METHYL}BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound S695-2445
4-{[3-(1H-IMIDAZOL-1-YL)-1-AZETANYL]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

S695-2445

Molecular Formula

C14H14N4 (C14 H14 N4)

Compound Name

4-{[3-(1H-IMIDAZOL-1-YL)-1-AZETANYL]METHYL}BENZONITRILE

IUPAC name

n/a

SMILES

N#Cc1ccc(CN(C2)CC2n2cncc2)cc1

InChI

InChI=1S/C14H14N4/c15-7-12-1-3-13(4-2-12)8-17-9-14(10-17)18-6-5-16-11-18/h1-6,11,14H,8-10H2

InChI Key

WLIRDYXFCMDTGS-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

238.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.758

Distribution Coefficient, logD

0.050

Water Solubility, LogSw

-1.00

Polar Surface Area

33.591

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

S695-2445 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with S695-2445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S695-2445?
Check Price and Availability of S695-2445, 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 S695-2445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S695-2445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S695-2445
  • 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 S695-2445 available by request