P930-0123 Screening compound: 1-[2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one

P930-0123 Screening compound: 1-[2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
P930-0123 Screening compound: 1-[2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P930-0123
1-[2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-phenylpropan-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

P930-0123

Molecular Formula

C16H20N4O (C16 H20 N4 O)

Compound Name

1-[2-(5-methyl-4H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one

IUPAC name

1-[(2S)-2-(5-methyl-4H-124-triazol-3-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one

SMILES

Cc1nnc([C@H](CCC2)N2C(CCc2ccccc2)=O)[nH]1

InChI

InChI=1S/C16H20N4O/c1-12-17-16(19-18-12)14-8-5-11-20(14)15(21)10-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,17,18,19)/t14-/m0/s1

InChI Key

NAUCCLGSITXHGP-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.36

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

1.490

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-1.77

Polar Surface Area

49.817

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

P930-0123 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P930-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P930-0123?
Check Price and Availability of P930-0123, 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 P930-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P930-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P930-0123
  • 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 P930-0123 available by request