S698-1191 Screening compound: 4-({4-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]piperidin-1-yl}sulfonyl)benzonitrile

S698-1191 Screening compound: 4-({4-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]piperidin-1-yl}sulfonyl)benzonitrile
S698-1191 Screening compound: 4-({4-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]piperidin-1-yl}sulfonyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S698-1191
4-({4-[5-methyl-2-(pyridin-3-yl)-1H-imidazol-1-yl]piperidin-1-yl}sulfonyl)benzonitrile

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

S698-1191

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(-c2cnccc2)n1C(CC1)CCN1S(c(cc1)ccc1C#N)(=O)=O

InChI

InChI=1S/C21H21N5O2S/c1-16-14-24-21(18-3-2-10-23-15-18)26(16)19-8-11-25(12-9-19)29(27,28)20-6-4-17(13-22)5-7-20/h2-7,10,14-15,19H,8-9,11-12H2,1H3

InChI Key

QQPZRHBHMPZMOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31964654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

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

2.323

Distribution Coefficient, logD

1.805

Water Solubility, LogSw

-2.13

Polar Surface Area

69.821

Acid Dissociation Constant (pKa)

21.32

Base Dissociation Constant (pKb)

7.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

S698-1191 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S698-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S698-1191?
Check Price and Availability of S698-1191, 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 S698-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S698-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S698-1191
  • 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 S698-1191 available by request