T633-0052 Screening compound: 3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-(4-methylbenzyl)piperidine

T633-0052 Screening compound: 3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-(4-methylbenzyl)piperidine
T633-0052 Screening compound: 3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-(4-methylbenzyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-0052
3-(4-ethyl-4H-1,2,4-triazol-3-yl)-1-(4-methylbenzyl)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

T633-0052

Molecular Formula

C17H24N4 (C17 H24 N4)

Compound Name

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

IUPAC name

n/a

SMILES

CCn1c(C2CN(Cc3ccc(C)cc3)CCC2)nnc1

InChI

InChI=1S/C17H24N4/c1-3-21-13-18-19-17(21)16-5-4-10-20(12-16)11-15-8-6-14(2)7-9-15/h6-9,13,16H,3-5,10-12H2,1-2H3/t16-/m0/s1

InChI Key

DIVBHLINCKLBFO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27622666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.197

Distribution Coefficient, logD

1.120

Water Solubility, LogSw

-2.07

Polar Surface Area

27.985

Acid Dissociation Constant (pKa)

21.70

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

T633-0052 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T633-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-0052?
Check Price and Availability of T633-0052, 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 T633-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-0052
  • 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 T633-0052 available by request