S698-1425 Screening compound: N-benzyl-4-[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]piperidine-1-carboxamide

S698-1425 Screening compound: N-benzyl-4-[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]piperidine-1-carboxamide
S698-1425 Screening compound: N-benzyl-4-[5-methyl-2-(pyridin-4-yl)-1H-imidazol-1-yl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-1425
N-benzyl-4-[5-methyl-2-(pyridin-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

S698-1425

Molecular Formula

C22H25N5O (C22 H25 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(-c2ccncc2)n1C(CC1)CCN1C(NCc1ccccc1)=O

InChI

InChI=1S/C22H25N5O/c1-17-15-24-21(19-7-11-23-12-8-19)27(17)20-9-13-26(14-10-20)22(28)25-16-18-5-3-2-4-6-18/h2-8,11-12,15,20H,9-10,13-14,16H2,1H3,(H,25,28)

InChI Key

XTSWLKVQQAJFJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31985081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.559

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-2.18

Polar Surface Area

47.755

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

5.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

S698-1425 in Drug Discovery

Included in Screening Libraries

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 S698-1425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-1425?
Check Price and Availability of S698-1425, 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 S698-1425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-1425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-1425
  • 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 S698-1425 available by request