S694-0275 Screening compound: 3,5-dimethyl-4-{[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)pyrrolidin-1-yl]sulfonyl}-1,2-oxazole

S694-0275 Screening compound: 3,5-dimethyl-4-{[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)pyrrolidin-1-yl]sulfonyl}-1,2-oxazole
S694-0275 Screening compound: 3,5-dimethyl-4-{[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)pyrrolidin-1-yl]sulfonyl}-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-0275
3,5-dimethyl-4-{[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)pyrrolidin-1-yl]sulfonyl}-1,2-oxazole

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

S694-0275

Molecular Formula

C19H22N4O3S (C19 H22 N4 O3 S)

Compound Name

3,5-dimethyl-4-{[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)pyrrolidin-1-yl]sulfonyl}-1,2-oxazole

IUPAC name

35-dimethyl-4-{[3-(5-methyl-2-phenyl-1H-imidazol-1-yl)pyrrolidin-1-yl]sulfonyl}-12-oxazole

SMILES

Cc1cnc(-c2ccccc2)n1C(CC1)CN1S(c1c(C)onc1C)(=O)=O

InChI

InChI=1S/C19H22N4O3S/c1-13-11-20-19(16-7-5-4-6-8-16)23(13)17-9-10-22(12-17)27(24,25)18-14(2)21-26-15(18)3/h4-8,11,17H,9-10,12H2,1-3H3/t17-/m1/s1

InChI Key

XUTSAZUCKLGZQQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD31995879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.168

Distribution Coefficient, logD

2.149

Water Solubility, LogSw

-2.12

Polar Surface Area

65.584

Acid Dissociation Constant (pKa)

21.10

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

S694-0275 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S694-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-0275?
Check Price and Availability of S694-0275, 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 S694-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-0275
  • 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 S694-0275 available by request