P935-0405 Screening compound: 3-{[2-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl}pyridine

P935-0405 Screening compound: 3-{[2-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl}pyridine
P935-0405 Screening compound: 3-{[2-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound P935-0405
3-{[2-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl}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

P935-0405

Molecular Formula

C13H17N5O2S (C13 H17 N5 O2 S)

Compound Name

3-{[2-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl}pyridine

IUPAC name

3-{[2-(4-methyl-4H-124-triazol-3-yl)piperidin-1-yl]sulfonyl}pyridine

SMILES

Cn1c(C(CCCC2)N2S(c2cnccc2)(=O)=O)nnc1

InChI

InChI=1S/C13H17N5O2S/c1-17-10-15-16-13(17)12-6-2-3-8-18(12)21(19,20)11-5-4-7-14-9-11/h4-5,7,9-10,12H,2-3,6,8H2,1H3/t12-/m0/s1

InChI Key

OSYLWSWHNWANCE-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27616188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.283

Distribution Coefficient, logD

0.282

Water Solubility, LogSw

-1.42

Polar Surface Area

66.850

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

P935-0405 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P935-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P935-0405?
Check Price and Availability of P935-0405, 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 P935-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P935-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P935-0405
  • 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 P935-0405 available by request