P944-2476 Screening compound: (3-fluoro-4-methylphenyl)[3-(3-phenyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone

P944-2476 Screening compound: (3-fluoro-4-methylphenyl)[3-(3-phenyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone
P944-2476 Screening compound: (3-fluoro-4-methylphenyl)[3-(3-phenyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P944-2476
(3-fluoro-4-methylphenyl)[3-(3-phenyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone

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

P944-2476

Molecular Formula

C20H19FN4O (C20 H19 FN4 O)

Compound Name

(3-fluoro-4-methylphenyl)[3-(3-phenyl-4H-1,2,4-triazol-4-yl)-1-pyrrolidinyl]methanone

IUPAC name

4-[1-(3-fluoro-4-methylbenzoyl)pyrrolidin-3-yl]-3-phenyl-4H-124-triazole

SMILES

Cc(ccc(C(N(CC1)CC1n1c(-c2ccccc2)nnc1)=O)c1)c1F

InChI

InChI=1S/C20H19FN4O/c1-14-7-8-16(11-18(14)21)20(26)24-10-9-17(12-24)25-13-22-23-19(25)15-5-3-2-4-6-15/h2-8,11,13,17H,9-10,12H2,1H3/t17-/m1/s1

InChI Key

MEWRUWMALCPXJK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD27616247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.918

Water Solubility, LogSw

-3.14

Polar Surface Area

41.371

Acid Dissociation Constant (pKa)

17.38

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

P944-2476 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P944-2476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P944-2476?
Check Price and Availability of P944-2476, 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 P944-2476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P944-2476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P944-2476
  • 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 P944-2476 available by request