P944-3597 Screening compound: 3-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)-N-(3-ethylphenyl)pyrrolidine-1-carboxamide

P944-3597 Screening compound: 3-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)-N-(3-ethylphenyl)pyrrolidine-1-carboxamide
P944-3597 Screening compound: 3-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)-N-(3-ethylphenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P944-3597
3-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)-N-(3-ethylphenyl)pyrrolidine-1-carboxamide

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

P944-3597

Molecular Formula

C18H23N5O (C18 H23 N5 O)

Compound Name

3-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)-N-(3-ethylphenyl)pyrrolidine-1-carboxamide

IUPAC name

3-(3-cyclopropyl-4H-124-triazol-4-yl)-N-(3-ethylphenyl)pyrrolidine-1-carboxamide

SMILES

CCc1cccc(NC(N(CC2)CC2n2c(C3CC3)nnc2)=O)c1

InChI

InChI=1S/C18H23N5O/c1-2-13-4-3-5-15(10-13)20-18(24)22-9-8-16(11-22)23-12-19-21-17(23)14-6-7-14/h3-5,10,12,14,16H,2,6-9,11H2,1H3,(H,20,24)/t16-/m1/s1

InChI Key

SZAWWEKYYOQVNF-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29003412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.41

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

2.636

Distribution Coefficient, logD

2.618

Water Solubility, LogSw

-2.86

Polar Surface Area

50.715

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

P944-3597 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P944-3597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P944-3597?
Check Price and Availability of P944-3597, 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 P944-3597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P944-3597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P944-3597
  • 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 P944-3597 available by request