P944-3531 Screening compound: 3-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)-N~1~-[4-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide

P944-3531 Screening compound: 3-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)-N~1~-[4-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide
P944-3531 Screening compound: 3-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)-N~1~-[4-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P944-3531
3-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)-N~1~-[4-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide

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

P944-3531

Molecular Formula

C17H18F3N5O (C17 H18 F3 N5 O)

Compound Name

3-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)-N~1~-[4-(trifluoromethyl)phenyl]-1-pyrrolidinecarboxamide

IUPAC name

3-(3-cyclopropyl-4H-124-triazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide

SMILES

O=C(Nc1ccc(C(F)(F)F)cc1)N(CC1)CC1n1c(C2CC2)nnc1

InChI

InChI=1S/C17H18F3N5O/c18-17(19,20)12-3-5-13(6-4-12)22-16(26)24-8-7-14(9-24)25-10-21-23-15(25)11-1-2-11/h3-6,10-11,14H,1-2,7-9H2,(H,22,26)/t14-/m1/s1

InChI Key

QAGYAFNIKGDDPM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD29003400

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.718

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-3.17

Polar Surface Area

50.715

Acid Dissociation Constant (pKa)

13.53

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.06

P944-3531 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P944-3531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P944-3531?
Check Price and Availability of P944-3531, 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 P944-3531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P944-3531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P944-3531
  • 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 P944-3531 available by request