S751-1873 Screening compound: 3-cyano-N-[2-(2,5-dimethyl-1H-imidazol-1-yl)ethyl]benzamide

S751-1873 Screening compound: 3-cyano-N-[2-(2,5-dimethyl-1H-imidazol-1-yl)ethyl]benzamide
S751-1873 Screening compound: 3-cyano-N-[2-(2,5-dimethyl-1H-imidazol-1-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S751-1873
3-cyano-N-[2-(2,5-dimethyl-1H-imidazol-1-yl)ethyl]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

S751-1873

Molecular Formula

C15H16N4O (C15 H16 N4 O)

Compound Name

3-cyano-N-[2-(2,5-dimethyl-1H-imidazol-1-yl)ethyl]benzamide

IUPAC name

3-cyano-N-[2-(25-dimethyl-1H-imidazol-1-yl)ethyl]benzamide

SMILES

Cc1cnc(C)n1CCNC(c1cc(C#N)ccc1)=O

InChI

InChI=1S/C15H16N4O/c1-11-10-18-12(2)19(11)7-6-17-15(20)14-5-3-4-13(8-14)9-16/h3-5,8,10H,6-7H2,1-2H3,(H,17,20)

InChI Key

OXPCUHAQXYCCSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31966891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.32

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

1.079

Distribution Coefficient, logD

-0.550

Water Solubility, LogSw

-1.90

Polar Surface Area

53.761

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

S751-1873 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S751-1873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S751-1873?
Check Price and Availability of S751-1873, 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 S751-1873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S751-1873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S751-1873
  • 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 S751-1873 available by request