P944-0900 Screening compound: 4-{[3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]sulfonyl}benzonitrile

P944-0900 Screening compound: 4-{[3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]sulfonyl}benzonitrile
P944-0900 Screening compound: 4-{[3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]sulfonyl}benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound P944-0900
4-{[3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]sulfonyl}benzonitrile

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

P944-0900

Molecular Formula

C15H17N5O2S (C15 H17 N5 O2 S)

Compound Name

4-{[3-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]sulfonyl}benzonitrile

IUPAC name

4-{[3-(3-ethyl-4H-124-triazol-4-yl)pyrrolidin-1-yl]sulfonyl}benzonitrile

SMILES

CCc1nncn1C(CC1)CN1S(c(cc1)ccc1C#N)(=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.4

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

1.040

Distribution Coefficient, logD

1.040

Water Solubility, LogSw

-2.32

Polar Surface Area

74.737

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

P944-0900 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 P944-0900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P944-0900?
Check Price and Availability of P944-0900, 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 P944-0900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P944-0900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P944-0900
  • 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 P944-0900 available by request