S794-0192 Screening compound: 1,3-dimethyl-4-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one

S794-0192 Screening compound: 1,3-dimethyl-4-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one
S794-0192 Screening compound: 1,3-dimethyl-4-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S794-0192
1,3-dimethyl-4-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one

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

S794-0192

Molecular Formula

C14H21N5OS (C14 H21 N5 OS)

Compound Name

1,3-dimethyl-4-{1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

13-dimethyl-4-{1-[(4-methyl-13-thiazol-5-yl)methyl]piperidin-4-yl}-45-dihydro-1H-124-triazol-5-one

SMILES

Cc1c(CN(CC2)CCC2N(C(C)=NN2C)C2=O)scn1

InChI

InChI=1S/C14H21N5OS/c1-10-13(21-9-15-10)8-18-6-4-12(5-7-18)19-11(2)16-17(3)14(19)20/h9,12H,4-8H2,1-3H3

InChI Key

UUBOLFBSUDDQOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31993663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.580

Distribution Coefficient, logD

0.637

Water Solubility, LogSw

-1.81

Polar Surface Area

44.099

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.29

S794-0192 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S794-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S794-0192?
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What is the minimum amount of S794-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S794-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S794-0192
  • 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 S794-0192 available by request