T629-0135 Screening compound: 3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-1-[(2,3-dimethoxyphenyl)methyl]piperidine

T629-0135 Screening compound: 3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-1-[(2,3-dimethoxyphenyl)methyl]piperidine
T629-0135 Screening compound: 3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-1-[(2,3-dimethoxyphenyl)methyl]piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-0135
3-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-1-[(2,3-dimethoxyphenyl)methyl]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

T629-0135

Molecular Formula

C19H26N4O2 (C19 H26 N4 O2)

Compound Name

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

IUPAC name

3-(5-cyclopropyl-4H-124-triazol-3-yl)-1-[(23-dimethoxyphenyl)methyl]piperidine

SMILES

COc(cccc1CN(CCC2)CC2c2nnc(C3CC3)[nH]2)c1OC

InChI

InChI=1S/C19H26N4O2/c1-24-16-7-3-5-14(17(16)25-2)11-23-10-4-6-15(12-23)19-20-18(21-22-19)13-8-9-13/h3,5,7,13,15H,4,6,8-12H2,1-2H3,(H,20,21,22)/t15-/m0/s1

InChI Key

PPZAARCAJGQNRE-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29030462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.281

Distribution Coefficient, logD

-0.585

Water Solubility, LogSw

-2.56

Polar Surface Area

53.288

Acid Dissociation Constant (pKa)

9.89

Base Dissociation Constant (pKb)

10.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

T629-0135 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Agro:
  • Agro
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T629-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-0135?
Check Price and Availability of T629-0135, 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 T629-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-0135
  • 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 T629-0135 available by request