P944-0929 Screening compound: 1-[3-(3-isopropyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]-2-(2-thienyl)-1-ethanone

P944-0929 Screening compound: 1-[3-(3-isopropyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]-2-(2-thienyl)-1-ethanone
P944-0929 Screening compound: 1-[3-(3-isopropyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]-2-(2-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P944-0929
1-[3-(3-isopropyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]-2-(2-thienyl)-1-ethanone

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

P944-0929

Molecular Formula

C15H20N4OS (C15 H20 N4 OS)

Compound Name

1-[3-(3-isopropyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]-2-(2-thienyl)-1-ethanone

IUPAC name

n/a

SMILES

CC(C)c1nncn1C(CC1)CN1C(Cc1cccs1)=O

InChI

InChI=1S/C15H20N4OS/c1-11(2)15-17-16-10-19(15)12-5-6-18(9-12)14(20)8-13-4-3-7-21-13/h3-4,7,10-12H,5-6,8-9H2,1-2H3/t12-/m1/s1

InChI Key

WKSGQYOFUXNQPK-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD27616225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.460

Distribution Coefficient, logD

1.459

Water Solubility, LogSw

-2.04

Polar Surface Area

42.133

Acid Dissociation Constant (pKa)

19.69

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

P944-0929 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P944-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P944-0929?
Check Price and Availability of P944-0929, 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 P944-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P944-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P944-0929
  • 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 P944-0929 available by request