T633-2044 Screening compound: 1-(3-FURYLMETHYL)-3-(4-PROPYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINE

T633-2044 Screening compound: 1-(3-FURYLMETHYL)-3-(4-PROPYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINE
T633-2044 Screening compound: 1-(3-FURYLMETHYL)-3-(4-PROPYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-2044
1-(3-FURYLMETHYL)-3-(4-PROPYL-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

T633-2044

Molecular Formula

C15H22N4O (C15 H22 N4 O)

Compound Name

1-(3-FURYLMETHYL)-3-(4-PROPYL-4H-1,2,4-TRIAZOL-3-YL)PIPERIDINE

IUPAC name

1-[(furan-3-yl)methyl]-3-(4-propyl-4H-124-triazol-3-yl)piperidine

SMILES

CCCn1c(C2CN(Cc3cocc3)CCC2)nnc1

InChI

InChI=1S/C15H22N4O/c1-2-6-19-12-16-17-15(19)14-4-3-7-18(10-14)9-13-5-8-20-11-13/h5,8,11-12,14H,2-4,6-7,9-10H2,1H3/t14-/m0/s1

InChI Key

SSQVULFWLFXTGG-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27622762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

-0.718

Water Solubility, LogSw

-1.80

Polar Surface Area

36.042

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

9.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

T633-2044 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • 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 T633-2044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-2044?
Check Price and Availability of T633-2044, 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 T633-2044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-2044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-2044
  • 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 T633-2044 available by request