S698-0531 Screening compound: 4-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide

S698-0531 Screening compound: 4-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide
S698-0531 Screening compound: 4-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]-N-(2-phenylethyl)piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-0531
4-[5-methyl-2-(oxan-4-yl)-1H-imidazol-1-yl]-N-(2-phenylethyl)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

S698-0531

Molecular Formula

C23H32N4O2 (C23 H32 N4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(C2CCOCC2)n1C(CC1)CCN1C(NCCc1ccccc1)=O

InChI

InChI=1S/C23H32N4O2/c1-18-17-25-22(20-10-15-29-16-11-20)27(18)21-8-13-26(14-9-21)23(28)24-12-7-19-5-3-2-4-6-19/h2-6,17,20-21H,7-16H2,1H3,(H,24,28)

InChI Key

VJJXPZNNTGSETQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30467735

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.129

Distribution Coefficient, logD

1.373

Water Solubility, LogSw

-2.98

Polar Surface Area

46.269

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

S698-0531 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 S698-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-0531?
Check Price and Availability of S698-0531, 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 S698-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-0531
  • 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 S698-0531 available by request