P939-3316 Screening compound: 2-cyclohexyl-1-[4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidino]-1-ethanone

P939-3316 Screening compound: 2-cyclohexyl-1-[4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidino]-1-ethanone
P939-3316 Screening compound: 2-cyclohexyl-1-[4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P939-3316
2-cyclohexyl-1-[4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidino]-1-ethanone

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

P939-3316

Molecular Formula

C18H28N4O (C18 H28 N4 O)

Compound Name

2-cyclohexyl-1-[4-(3-cyclopropyl-4H-1,2,4-triazol-4-yl)piperidino]-1-ethanone

IUPAC name

2-cyclohexyl-1-[4-(3-cyclopropyl-4H-124-triazol-4-yl)piperidin-1-yl]ethan-1-one

SMILES

O=C(CC1CCCCC1)N(CC1)CCC1n1c(C2CC2)nnc1

InChI

InChI=1S/C18H28N4O/c23-17(12-14-4-2-1-3-5-14)21-10-8-16(9-11-21)22-13-19-20-18(22)15-6-7-15/h13-16H,1-12H2

InChI Key

SHBRGIBMWJUONM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.976

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-2.89

Polar Surface Area

41.259

Acid Dissociation Constant (pKa)

20.05

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

83.33

P939-3316 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P939-3316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P939-3316?
Check Price and Availability of P939-3316, 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 P939-3316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P939-3316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P939-3316
  • 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 P939-3316 available by request