T633-0276 Screening compound: 1-(2-chloro-4-fluorobenzyl)-3-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine

T633-0276 Screening compound: 1-(2-chloro-4-fluorobenzyl)-3-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine
T633-0276 Screening compound: 1-(2-chloro-4-fluorobenzyl)-3-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-0276
1-(2-chloro-4-fluorobenzyl)-3-(4-methyl-4H-1,2,4-triazol-3-yl)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

T633-0276

Molecular Formula

C15H18ClFN4 (C15 H18 ClFN4)

Compound Name

1-(2-chloro-4-fluorobenzyl)-3-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine

IUPAC name

1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-methyl-4H-124-triazol-3-yl)piperidine

SMILES

Cn1c(C2CN(Cc(ccc(F)c3)c3Cl)CCC2)nnc1

InChI

InChI=1S/C15H18ClFN4/c1-20-10-18-19-15(20)12-3-2-6-21(9-12)8-11-4-5-13(17)7-14(11)16/h4-5,7,10,12H,2-3,6,8-9H2,1H3/t12-/m0/s1

InChI Key

HPQDYXCKBFXTEC-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.79

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.338

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.99

Polar Surface Area

28.816

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

T633-0276 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with T633-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-0276?
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What is the minimum amount of T633-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-0276
  • 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 T633-0276 available by request