S692-1738 Screening compound: 3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidine-1-carbonyl]benzonitrile

S692-1738 Screening compound: 3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidine-1-carbonyl]benzonitrile
S692-1738 Screening compound: 3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidine-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S692-1738
3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidine-1-carbonyl]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

S692-1738

Molecular Formula

C21H24N4O (C21 H24 N4 O)

Compound Name

3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidine-1-carbonyl]benzonitrile

IUPAC name

3-[3-(2-cyclobutyl-5-methyl-1H-imidazol-1-yl)piperidine-1-carbonyl]benzonitrile

SMILES

Cc1cnc(C2CCC2)n1C(CCC1)CN1C(c1cc(C#N)ccc1)=O

InChI

InChI=1S/C21H24N4O/c1-15-13-23-20(17-6-3-7-17)25(15)19-9-4-10-24(14-19)21(26)18-8-2-5-16(11-18)12-22/h2,5,8,11,13,17,19H,3-4,6-7,9-10,14H2,1H3/t19-/m0/s1

InChI Key

CVUXVCMJIUXTSA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31966238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.007

Distribution Coefficient, logD

-0.410

Water Solubility, LogSw

-2.06

Polar Surface Area

45.697

Acid Dissociation Constant (pKa)

23.18

Base Dissociation Constant (pKb)

9.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

S692-1738 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 S692-1738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S692-1738?
Check Price and Availability of S692-1738, 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 S692-1738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S692-1738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S692-1738
  • 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 S692-1738 available by request