P935-0400 Screening compound: 2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(thiophene-2-sulfonyl)piperidine

P935-0400 Screening compound: 2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(thiophene-2-sulfonyl)piperidine
P935-0400 Screening compound: 2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(thiophene-2-sulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P935-0400
2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(thiophene-2-sulfonyl)piperidine

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

P935-0400

Molecular Formula

C12H16N4O2S2 (C12 H16 N4 O2 S2)

Compound Name

2-(4-methyl-4H-1,2,4-triazol-3-yl)-1-(thiophene-2-sulfonyl)piperidine

IUPAC name

2-(4-methyl-4H-124-triazol-3-yl)-1-(thiophene-2-sulfonyl)piperidine

SMILES

Cn1c(C(CCCC2)N2S(c2cccs2)(=O)=O)nnc1

InChI

InChI=1S/C12H16N4O2S2/c1-15-9-13-14-12(15)10-5-2-3-7-16(10)20(17,18)11-6-4-8-19-11/h4,6,8-10H,2-3,5,7H2,1H3/t10-/m0/s1

InChI Key

VLNDLZLGPUSBNS-JTQLQIEISA-N

MDL Number (MFCD)

MFCD29031620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.058

Distribution Coefficient, logD

1.057

Water Solubility, LogSw

-2.19

Polar Surface Area

58.351

Acid Dissociation Constant (pKa)

23.48

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P935-0400 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P935-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P935-0400?
Check Price and Availability of P935-0400, 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 P935-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P935-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P935-0400
  • 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 P935-0400 available by request