S697-1112 Screening compound: 3-(5-methyl-1-{[1-(pyridine-3-sulfonyl)piperidin-4-yl]methyl}-1H-imidazol-2-yl)pyridine

S697-1112 Screening compound: 3-(5-methyl-1-{[1-(pyridine-3-sulfonyl)piperidin-4-yl]methyl}-1H-imidazol-2-yl)pyridine
S697-1112 Screening compound: 3-(5-methyl-1-{[1-(pyridine-3-sulfonyl)piperidin-4-yl]methyl}-1H-imidazol-2-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S697-1112
3-(5-methyl-1-{[1-(pyridine-3-sulfonyl)piperidin-4-yl]methyl}-1H-imidazol-2-yl)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

S697-1112

Molecular Formula

C20H23N5O2S (C20 H23 N5 O2 S)

Compound Name

3-(5-methyl-1-{[1-(pyridine-3-sulfonyl)piperidin-4-yl]methyl}-1H-imidazol-2-yl)pyridine

IUPAC name

3-(5-methyl-1-{[1-(pyridine-3-sulfonyl)piperidin-4-yl]methyl}-1H-imidazol-2-yl)pyridine

SMILES

Cc1cnc(-c2cnccc2)n1CC(CC1)CCN1S(c1cnccc1)(=O)=O

InChI

InChI=1S/C20H23N5O2S/c1-16-12-23-20(18-4-2-8-21-13-18)25(16)15-17-6-10-24(11-7-17)28(26,27)19-5-3-9-22-14-19/h2-5,8-9,12-14,17H,6-7,10-11,15H2,1H3

InChI Key

NAGMZEMETMSYRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31978321

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.946

Distribution Coefficient, logD

1.743

Water Solubility, LogSw

-1.81

Polar Surface Area

61.898

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S697-1112 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S697-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S697-1112?
Check Price and Availability of S697-1112, 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 S697-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S697-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S697-1112
  • 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 S697-1112 available by request