P930-1246 Screening compound: 2-(2-methylphenyl)-1-[2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one

P930-1246 Screening compound: 2-(2-methylphenyl)-1-[2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one
P930-1246 Screening compound: 2-(2-methylphenyl)-1-[2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-1246
2-(2-methylphenyl)-1-[2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one

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

P930-1246

Molecular Formula

C21H22N4O (C21 H22 N4 O)

Compound Name

2-(2-methylphenyl)-1-[2-(5-phenyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one

IUPAC name

2-(2-methylphenyl)-1-[(2S)-2-(5-phenyl-4H-124-triazol-3-yl)pyrrolidin-1-yl]ethan-1-one

SMILES

Cc1c(CC(N(CCC2)[C@@H]2c2nnc(-c3ccccc3)[nH]2)=O)cccc1

InChI

InChI=1S/C21H22N4O/c1-15-8-5-6-11-17(15)14-19(26)25-13-7-12-18(25)21-22-20(23-24-21)16-9-3-2-4-10-16/h2-6,8-11,18H,7,12-14H2,1H3,(H,22,23,24)/t18-/m0/s1

InChI Key

SDVQAIIMOJILGB-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.443

Water Solubility, LogSw

-3.42

Polar Surface Area

49.933

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

P930-1246 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P930-1246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-1246?
Check Price and Availability of P930-1246, 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 P930-1246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-1246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-1246
  • 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 P930-1246 available by request