S698-0517 Screening compound: N-cyclohexyl-4-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine-1-carboxamide

S698-0517 Screening compound: N-cyclohexyl-4-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine-1-carboxamide
S698-0517 Screening compound: N-cyclohexyl-4-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-0517
N-cyclohexyl-4-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine-1-carboxamide

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

S698-0517

Molecular Formula

C21H34N4O2 (C21 H34 N4 O2)

Compound Name

N-cyclohexyl-4-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine-1-carboxamide

IUPAC name

N-cyclohexyl-4-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]piperidine-1-carboxamide

SMILES

Cc1cnc(C2CCOCC2)n1C(CC1)CCN1C(NC1CCCCC1)=O

InChI

InChI=1S/C21H34N4O2/c1-16-15-22-20(17-9-13-27-14-10-17)25(16)19-7-11-24(12-8-19)21(26)23-18-5-3-2-4-6-18/h15,17-19H,2-14H2,1H3,(H,23,26)

InChI Key

IIISYRXEQBYKEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31965458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

1.655

Water Solubility, LogSw

-3.23

Polar Surface Area

46.153

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.95

S698-0517 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S698-0517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-0517?
Check Price and Availability of S698-0517, 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 S698-0517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-0517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-0517
  • 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 S698-0517 available by request