S692-0099 Screening compound: 4-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)piperidine-1-carbonyl]pyridine

S692-0099 Screening compound: 4-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)piperidine-1-carbonyl]pyridine
S692-0099 Screening compound: 4-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)piperidine-1-carbonyl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S692-0099
4-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)piperidine-1-carbonyl]pyridine

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

S692-0099

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

4-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)piperidine-1-carbonyl]pyridine

IUPAC name

4-[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)piperidine-1-carbonyl]pyridine

SMILES

Cc1cnc(-c2ccccc2)n1C(CCC1)CN1C(c1ccncc1)=O

InChI

InChI=1S/C21H22N4O/c1-16-14-23-20(17-6-3-2-4-7-17)25(16)19-8-5-13-24(15-19)21(26)18-9-11-22-12-10-18/h2-4,6-7,9-12,14,19H,5,8,13,15H2,1H3/t19-/m0/s1

InChI Key

MXHHWOZMBCRXFK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD31979559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.174

Distribution Coefficient, logD

2.155

Water Solubility, LogSw

-1.80

Polar Surface Area

37.546

Acid Dissociation Constant (pKa)

21.02

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.57

S692-0099 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S692-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S692-0099?
Check Price and Availability of S692-0099, 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 S692-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S692-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S692-0099
  • 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 S692-0099 available by request