P060-0087 Screening compound: 4-CYANO-N-[4-(1H-IMIDAZOL-1-YL)BENZYL]BENZAMIDE

P060-0087 Screening compound: 4-CYANO-N-[4-(1H-IMIDAZOL-1-YL)BENZYL]BENZAMIDE
P060-0087 Screening compound: 4-CYANO-N-[4-(1H-IMIDAZOL-1-YL)BENZYL]BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P060-0087
4-CYANO-N-[4-(1H-IMIDAZOL-1-YL)BENZYL]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

P060-0087

Molecular Formula

C18H14N4O (C18 H14 N4 O)

Compound Name

4-CYANO-N-[4-(1H-IMIDAZOL-1-YL)BENZYL]BENZAMIDE

IUPAC name

4-cyano-N-{[4-(1H-imidazol-1-yl)phenyl]methyl}benzamide

SMILES

N#Cc(cc1)ccc1C(NCc(cc1)ccc1-n1cncc1)=O

InChI

InChI=1S/C18H14N4O/c19-11-14-1-5-16(6-2-14)18(23)21-12-15-3-7-17(8-4-15)22-10-9-20-13-22/h1-10,13H,12H2,(H,21,23)

InChI Key

XFALKGGDOIWRHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

1.736

Water Solubility, LogSw

-1.98

Polar Surface Area

54.433

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

6.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

P060-0087 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P060-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P060-0087?
Check Price and Availability of P060-0087, 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 P060-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P060-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P060-0087
  • 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 P060-0087 available by request