P944-0857 Screening compound: 3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl (2-thienyl) sulfone

P944-0857 Screening compound: 3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl (2-thienyl) sulfone
P944-0857 Screening compound: 3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl (2-thienyl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound P944-0857
3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl (2-thienyl) sulfone

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

P944-0857

Molecular Formula

C12H16N4O2S2 (C12 H16 N4 O2 S2)

Compound Name

3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl (2-thienyl) sulfone

IUPAC name

3-ethyl-4-[1-(thiophene-2-sulfonyl)pyrrolidin-3-yl]-4H-124-triazole

SMILES

CCc1nncn1C(CC1)CN1S(c1cccs1)(=O)=O

InChI

InChI=1S/C12H16N4O2S2/c1-2-11-14-13-9-16(11)10-5-6-15(8-10)20(17,18)12-4-3-7-19-12/h3-4,7,9-10H,2,5-6,8H2,1H3/t10-/m1/s1

InChI Key

QNCQSCHOSRMUIT-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD27616217

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

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.992

Distribution Coefficient, logD

0.992

Water Solubility, LogSw

-2.14

Polar Surface Area

58.700

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P944-0857 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
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 P944-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P944-0857?
Check Price and Availability of P944-0857, 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 P944-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P944-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P944-0857
  • 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 P944-0857 available by request