P939-3997 Screening compound: 4-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-(3-methylbenzoyl)piperidine

P939-3997 Screening compound: 4-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-(3-methylbenzoyl)piperidine
P939-3997 Screening compound: 4-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-(3-methylbenzoyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P939-3997
4-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-(3-methylbenzoyl)piperidine

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

P939-3997

Molecular Formula

C17H22N4O (C17 H22 N4 O)

Compound Name

4-(3-ethyl-4H-1,2,4-triazol-4-yl)-1-(3-methylbenzoyl)piperidine

IUPAC name

4-(3-ethyl-4H-124-triazol-4-yl)-1-(3-methylbenzoyl)piperidine

SMILES

CCc1nncn1C(CC1)CCN1C(c1cc(C)ccc1)=O

InChI

InChI=1S/C17H22N4O/c1-3-16-19-18-12-21(16)15-7-9-20(10-8-15)17(22)14-6-4-5-13(2)11-14/h4-6,11-12,15H,3,7-10H2,1-2H3

InChI Key

CYYQYSQZEFKKAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30462173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.930

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-2.12

Polar Surface Area

42.319

Acid Dissociation Constant (pKa)

19.47

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

P939-3997 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with P939-3997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P939-3997?
Check Price and Availability of P939-3997, 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 P939-3997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P939-3997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P939-3997
  • 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 P939-3997 available by request