P944-0868 Screening compound: 3-ethyl-4-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-3-yl]-4H-1,2,4-triazole

P944-0868 Screening compound: 3-ethyl-4-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-3-yl]-4H-1,2,4-triazole
P944-0868 Screening compound: 3-ethyl-4-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-3-yl]-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P944-0868
3-ethyl-4-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-3-yl]-4H-1,2,4-triazole

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

P944-0868

Molecular Formula

C15H19FN4O3S (C15 H19 FN4 O3 S)

Compound Name

3-ethyl-4-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-3-yl]-4H-1,2,4-triazole

IUPAC name

3-ethyl-4-[1-(5-fluoro-2-methoxybenzenesulfonyl)pyrrolidin-3-yl]-4H-124-triazole

SMILES

CCc1nncn1C(CC1)CN1S(c(cc(cc1)F)c1OC)(=O)=O

InChI

InChI=1S/C15H19FN4O3S/c1-3-15-18-17-10-20(15)12-6-7-19(9-12)24(21,22)14-8-11(16)4-5-13(14)23-2/h4-5,8,10,12H,3,6-7,9H2,1-2H3/t12-/m1/s1

InChI Key

ATKJGMFPUTYREZ-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27616218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.242

Distribution Coefficient, logD

1.242

Water Solubility, LogSw

-2.35

Polar Surface Area

65.312

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

P944-0868 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P944-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P944-0868?
Check Price and Availability of P944-0868, 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 P944-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P944-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P944-0868
  • 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 P944-0868 available by request