T633-0488 Screening compound: 3-(4-BENZYL-4H-1,2,4-TRIAZOL-3-YL)-1-(2-FLUOROBENZYL)PIPERIDINE

T633-0488 Screening compound: 3-(4-BENZYL-4H-1,2,4-TRIAZOL-3-YL)-1-(2-FLUOROBENZYL)PIPERIDINE
T633-0488 Screening compound: 3-(4-BENZYL-4H-1,2,4-TRIAZOL-3-YL)-1-(2-FLUOROBENZYL)PIPERIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-0488
3-(4-BENZYL-4H-1,2,4-TRIAZOL-3-YL)-1-(2-FLUOROBENZYL)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

T633-0488

Molecular Formula

C21H23FN4 (C21 H23 FN4)

Compound Name

3-(4-BENZYL-4H-1,2,4-TRIAZOL-3-YL)-1-(2-FLUOROBENZYL)PIPERIDINE

IUPAC name

n/a

SMILES

Fc1c(CN(CCC2)CC2c2nncn2Cc2ccccc2)cccc1

InChI

InChI=1S/C21H23FN4/c22-20-11-5-4-9-18(20)14-25-12-6-10-19(15-25)21-24-23-16-26(21)13-17-7-2-1-3-8-17/h1-5,7-9,11,16,19H,6,10,12-15H2/t19-/m0/s1

InChI Key

VULDMLYPOJMDRH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27622702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.292

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.15

Polar Surface Area

27.989

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

T633-0488 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T633-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-0488?
Check Price and Availability of T633-0488, 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 T633-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-0488
  • 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 T633-0488 available by request