S698-0994 Screening compound: 2-cyclohexyl-1-{4-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]piperidin-1-yl}ethan-1-one

S698-0994 Screening compound: 2-cyclohexyl-1-{4-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]piperidin-1-yl}ethan-1-one
S698-0994 Screening compound: 2-cyclohexyl-1-{4-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-0994
2-cyclohexyl-1-{4-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]piperidin-1-yl}ethan-1-one

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

S698-0994

Molecular Formula

C22H30N4O (C22 H30 N4 O)

Compound Name

2-cyclohexyl-1-{4-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]piperidin-1-yl}ethan-1-one

IUPAC name

2-cyclohexyl-1-{4-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]piperidin-1-yl}ethan-1-one

SMILES

Cc1cnc(-c2cnccc2)n1C(CC1)CCN1C(CC1CCCCC1)=O

InChI

InChI=1S/C22H30N4O/c1-17-15-24-22(19-8-5-11-23-16-19)26(17)20-9-12-25(13-10-20)21(27)14-18-6-3-2-4-7-18/h5,8,11,15-16,18,20H,2-4,6-7,9-10,12-14H2,1H3

InChI Key

ZJUBUJSEZZBCQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31964411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.51

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

3.370

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-3.13

Polar Surface Area

37.367

Acid Dissociation Constant (pKa)

21.31

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.09

S698-0994 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S698-0994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-0994?
Check Price and Availability of S698-0994, 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 S698-0994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-0994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-0994
  • 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 S698-0994 available by request