S695-0286 Screening compound: 3-(5-METHYL-2-PHENYL-1H-IMIDAZOL-1-YL)-1-AZETANYL (2-THIENYL) SULFONE

S695-0286 Screening compound: 3-(5-METHYL-2-PHENYL-1H-IMIDAZOL-1-YL)-1-AZETANYL (2-THIENYL) SULFONE
S695-0286 Screening compound: 3-(5-METHYL-2-PHENYL-1H-IMIDAZOL-1-YL)-1-AZETANYL (2-THIENYL) SULFONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S695-0286
3-(5-METHYL-2-PHENYL-1H-IMIDAZOL-1-YL)-1-AZETANYL (2-THIENYL) SULFONE

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

S695-0286

Molecular Formula

C17H17N3O2S2 (C17 H17 N3 O2 S2)

Compound Name

3-(5-METHYL-2-PHENYL-1H-IMIDAZOL-1-YL)-1-AZETANYL (2-THIENYL) SULFONE

IUPAC name

n/a

SMILES

Cc1cnc(-c2ccccc2)n1C(C1)CN1S(c1cccs1)(=O)=O

InChI

InChI=1S/C17H17N3O2S2/c1-13-10-18-17(14-6-3-2-4-7-14)20(13)15-11-19(12-15)24(21,22)16-8-5-9-23-16/h2-10,15H,11-12H2,1H3

InChI Key

TXTGBJGYOHQJKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31965433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.761

Distribution Coefficient, logD

2.705

Water Solubility, LogSw

-2.83

Polar Surface Area

44.463

Acid Dissociation Constant (pKa)

21.11

Base Dissociation Constant (pKb)

6.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

S695-0286 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S695-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S695-0286?
Check Price and Availability of S695-0286, 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 S695-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S695-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S695-0286
  • 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 S695-0286 available by request