T630-1988 Screening compound: 4-(5-methyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]piperidine

T630-1988 Screening compound: 4-(5-methyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]piperidine
T630-1988 Screening compound: 4-(5-methyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-1988
4-(5-methyl-4H-1,2,4-triazol-3-yl)-1-[3-(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

T630-1988

Molecular Formula

C16H17F3N4O2 (C16 H17 F3 N4 O2)

Compound Name

4-(5-methyl-4H-1,2,4-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]piperidine

IUPAC name

4-(5-methyl-4H-124-triazol-3-yl)-1-[3-(trifluoromethoxy)benzoyl]piperidine

SMILES

Cc1nnc(C(CC2)CCN2C(c2cccc(OC(F)(F)F)c2)=O)[nH]1

InChI

InChI=1S/C16H17F3N4O2/c1-10-20-14(22-21-10)11-5-7-23(8-6-11)15(24)12-3-2-4-13(9-12)25-16(17,18)19/h2-4,9,11H,5-8H2,1H3,(H,20,21,22)

InChI Key

HRZIVHIUTOVZCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.173

Distribution Coefficient, logD

2.169

Water Solubility, LogSw

-2.74

Polar Surface Area

56.221

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

T630-1988 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with T630-1988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-1988?
Check Price and Availability of T630-1988, 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 T630-1988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-1988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-1988
  • 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 T630-1988 available by request