S696-1555 Screening compound: 4-(1-{[1-(3-fluorobenzenesulfonyl)azetidin-3-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine

S696-1555 Screening compound: 4-(1-{[1-(3-fluorobenzenesulfonyl)azetidin-3-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine
S696-1555 Screening compound: 4-(1-{[1-(3-fluorobenzenesulfonyl)azetidin-3-yl]methyl}-5-methyl-1H-imidazol-2-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S696-1555
4-(1-{[1-(3-fluorobenzenesulfonyl)azetidin-3-yl]methyl}-5-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

S696-1555

Molecular Formula

C19H19FN4O2S (C19 H19 FN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cnc(-c2ccncc2)n1CC(C1)CN1S(c1cc(F)ccc1)(=O)=O

InChI

InChI=1S/C19H19FN4O2S/c1-14-10-22-19(16-5-7-21-8-6-16)24(14)13-15-11-23(12-15)27(25,26)18-4-2-3-17(20)9-18/h2-10,15H,11-13H2,1H3

InChI Key

SDXILLAXAKYXQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31964049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.718

Distribution Coefficient, logD

2.717

Water Solubility, LogSw

-2.71

Polar Surface Area

52.489

Acid Dissociation Constant (pKa)

23.77

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

S696-1555 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S696-1555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S696-1555?
Check Price and Availability of S696-1555, 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 S696-1555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S696-1555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S696-1555
  • 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 S696-1555 available by request