P930-5545 Screening compound: 2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide

P930-5545 Screening compound: 2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide
P930-5545 Screening compound: 2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-5545
2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-N-(3-methylphenyl)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

P930-5545

Molecular Formula

C20H20FN5O (C20 H20 FN5 O)

Compound Name

2-[5-(4-fluorophenyl)-4H-1,2,4-triazol-3-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide

IUPAC name

(2S)-2-[5-(4-fluorophenyl)-4H-124-triazol-3-yl]-N-(3-methylphenyl)pyrrolidine-1-carboxamide

SMILES

Cc1cccc(NC(N(CCC2)[C@@H]2c2nnc(-c(cc3)ccc3F)[nH]2)=O)c1

InChI

InChI=1S/C20H20FN5O/c1-13-4-2-5-16(12-13)22-20(27)26-11-3-6-17(26)19-23-18(24-25-19)14-7-9-15(21)10-8-14/h2,4-5,7-10,12,17H,3,6,11H2,1H3,(H,22,27)(H,23,24,25)/t17-/m0/s1

InChI Key

XKYSBSLHOWSSHR-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

3.238

Water Solubility, LogSw

-3.31

Polar Surface Area

59.281

Acid Dissociation Constant (pKa)

4.37

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

P930-5545 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P930-5545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-5545?
Check Price and Availability of P930-5545, 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 P930-5545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-5545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-5545
  • 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 P930-5545 available by request