P939-3487 Screening compound: 4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)benzenesulfonyl]piperidine

P939-3487 Screening compound: 4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)benzenesulfonyl]piperidine
P939-3487 Screening compound: 4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)benzenesulfonyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P939-3487
4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)benzenesulfonyl]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

P939-3487

Molecular Formula

C17H21F3N4O3S (C17 H21 F3 N4 O3 S)

Compound Name

4-[3-(2-methoxyethyl)-4H-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)benzenesulfonyl]piperidine

IUPAC name

4-[3-(2-methoxyethyl)-4H-124-triazol-4-yl]-1-[2-(trifluoromethyl)benzenesulfonyl]piperidine

SMILES

COCCc1nncn1C(CC1)CCN1S(c1c(C(F)(F)F)cccc1)(=O)=O

InChI

InChI=1S/C17H21F3N4O3S/c1-27-11-8-16-22-21-12-24(16)13-6-9-23(10-7-13)28(25,26)15-5-3-2-4-14(15)17(18,19)20/h2-5,12-13H,6-11H2,1H3

InChI Key

YHEDFPZPICMKEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.178

Distribution Coefficient, logD

2.178

Water Solubility, LogSw

-2.64

Polar Surface Area

65.724

Acid Dissociation Constant (pKa)

19.48

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

P939-3487 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P939-3487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P939-3487?
Check Price and Availability of P939-3487, 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 P939-3487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P939-3487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P939-3487
  • 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 P939-3487 available by request