P940-4498 Screening compound: 4-isopropyl-2-methyl-5-{1-[(2-methyl-3-pyridyl)carbonyl]-3-piperidyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

P940-4498 Screening compound: 4-isopropyl-2-methyl-5-{1-[(2-methyl-3-pyridyl)carbonyl]-3-piperidyl}-2,4-dihydro-3H-1,2,4-triazol-3-one
P940-4498 Screening compound: 4-isopropyl-2-methyl-5-{1-[(2-methyl-3-pyridyl)carbonyl]-3-piperidyl}-2,4-dihydro-3H-1,2,4-triazol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P940-4498
4-isopropyl-2-methyl-5-{1-[(2-methyl-3-pyridyl)carbonyl]-3-piperidyl}-2,4-dihydro-3H-1,2,4-triazol-3-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

P940-4498

Molecular Formula

C18H25N5O2 (C18 H25 N5 O2)

Compound Name

4-isopropyl-2-methyl-5-{1-[(2-methyl-3-pyridyl)carbonyl]-3-piperidyl}-2,4-dihydro-3H-1,2,4-triazol-3-one

IUPAC name

1-methyl-3-[1-(2-methylpyridine-3-carbonyl)piperidin-3-yl]-4-(propan-2-yl)-45-dihydro-1H-124-triazol-5-one

SMILES

CC(C)N(C(C(CCC1)CN1C(c1c(C)nccc1)=O)=NN1C)C1=O

InChI

InChI=1S/C18H25N5O2/c1-12(2)23-16(20-21(4)18(23)25)14-7-6-10-22(11-14)17(24)15-8-5-9-19-13(15)3/h5,8-9,12,14H,6-7,10-11H2,1-4H3/t14-/m0/s1

InChI Key

YLRQJDDKYHUJHH-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD31985404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.742

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-2.05

Polar Surface Area

58.295

Acid Dissociation Constant (pKa)

22.52

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

P940-4498 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P940-4498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P940-4498?
Check Price and Availability of P940-4498, 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 P940-4498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P940-4498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P940-4498
  • 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 P940-4498 available by request