S846-0112 Screening compound: 4-(5-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine

S846-0112 Screening compound: 4-(5-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine
S846-0112 Screening compound: 4-(5-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S846-0112
4-(5-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl}-1,2,4-oxadiazol-3-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

S846-0112

Molecular Formula

C15H15N5O4S (C15 H15 N5 O4 S)

Compound Name

4-(5-{1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]azetidin-3-yl}-1,2,4-oxadiazol-3-yl)pyridine

IUPAC name

4-(5-{1-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]azetidin-3-yl}-124-oxadiazol-3-yl)pyridine

SMILES

Cc1noc(C)c1S(N(C1)CC1c1nc(-c2ccncc2)no1)(=O)=O

InChI

InChI=1S/C15H15N5O4S/c1-9-13(10(2)23-18-9)25(21,22)20-7-12(8-20)15-17-14(19-24-15)11-3-5-16-6-4-11/h3-6,12H,7-8H2,1-2H3

InChI Key

FZCBRBQSLCHCEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.369

Distribution Coefficient, logD

1.369

Water Solubility, LogSw

-1.94

Polar Surface Area

95.019

Acid Dissociation Constant (pKa)

26.10

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S846-0112 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S846-0112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S846-0112?
Check Price and Availability of S846-0112, 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 S846-0112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S846-0112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S846-0112
  • 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 S846-0112 available by request