P940-4182 Screening compound: 4-benzyl-3-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

P940-4182 Screening compound: 4-benzyl-3-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
P940-4182 Screening compound: 4-benzyl-3-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P940-4182
4-benzyl-3-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-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

P940-4182

Molecular Formula

C23H30N6O2 (C23 H30 N6 O2)

Compound Name

4-benzyl-3-{1-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one

IUPAC name

4-benzyl-3-{1-[3-(35-dimethyl-1H-pyrazol-1-yl)propanoyl]piperidin-3-yl}-1-methyl-45-dihydro-1H-124-triazol-5-one

SMILES

Cc1cc(C)nn1CCC(N(CCC1)CC1C(N1Cc2ccccc2)=NN(C)C1=O)=O

InChI

InChI=1S/C23H30N6O2/c1-17-14-18(2)29(24-17)13-11-21(30)27-12-7-10-20(16-27)22-25-26(3)23(31)28(22)15-19-8-5-4-6-9-19/h4-6,8-9,14,20H,7,10-13,15-16H2,1-3H3/t20-/m0/s1

InChI Key

VJUIDHQINHXSRW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD31959606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.972

Distribution Coefficient, logD

1.972

Water Solubility, LogSw

-2.24

Polar Surface Area

62.136

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.83

P940-4182 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with P940-4182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P940-4182?
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What is the minimum amount of P940-4182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P940-4182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P940-4182
  • 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 P940-4182 available by request