P939-5181 Screening compound: 4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]-1-[2-(trifluoromethoxy)benzoyl]piperidine

P939-5181 Screening compound: 4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]-1-[2-(trifluoromethoxy)benzoyl]piperidine
P939-5181 Screening compound: 4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]-1-[2-(trifluoromethoxy)benzoyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound P939-5181
4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]-1-[2-(trifluoromethoxy)benzoyl]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

P939-5181

Molecular Formula

C17H19F3N4O3 (C17 H19 F3 N4 O3)

Compound Name

4-[3-(methoxymethyl)-4H-1,2,4-triazol-4-yl]-1-[2-(trifluoromethoxy)benzoyl]piperidine

IUPAC name

4-[3-(methoxymethyl)-4H-124-triazol-4-yl]-1-[2-(trifluoromethoxy)benzoyl]piperidine

SMILES

COCc1nncn1C(CC1)CCN1C(c(cccc1)c1OC(F)(F)F)=O

InChI

InChI=1S/C17H19F3N4O3/c1-26-10-15-22-21-11-24(15)12-6-8-23(9-7-12)16(25)13-4-2-3-5-14(13)27-17(18,19)20/h2-5,11-12H,6-10H2,1H3

InChI Key

CWRDXLPWFISIAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29002989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.000

Distribution Coefficient, logD

2.000

Water Solubility, LogSw

-2.49

Polar Surface Area

56.766

Acid Dissociation Constant (pKa)

18.89

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

P939-5181 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P939-5181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P939-5181?
Check Price and Availability of P939-5181, 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 P939-5181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P939-5181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P939-5181
  • 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 P939-5181 available by request