T633-1349 Screening compound: [3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](2-furyl)methanone

T633-1349 Screening compound: [3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](2-furyl)methanone
T633-1349 Screening compound: [3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](2-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T633-1349
[3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](2-furyl)methanone

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

T633-1349

Molecular Formula

C19H20N4O2 (C19 H20 N4 O2)

Compound Name

[3-(4-benzyl-4H-1,2,4-triazol-3-yl)piperidino](2-furyl)methanone

IUPAC name

3-(4-benzyl-4H-124-triazol-3-yl)-1-(furan-2-carbonyl)piperidine

SMILES

O=C(c1ccco1)N(CCC1)CC1c1nncn1Cc1ccccc1

InChI

InChI=1S/C19H20N4O2/c24-19(17-9-5-11-25-17)22-10-4-8-16(13-22)18-21-20-14-23(18)12-15-6-2-1-3-7-15/h1-3,5-7,9,11,14,16H,4,8,10,12-13H2/t16-/m0/s1

InChI Key

LDGFYFFGJLBYLY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27622732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.927

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.06

Polar Surface Area

49.483

Acid Dissociation Constant (pKa)

20.18

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

T633-1349 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T633-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T633-1349?
Check Price and Availability of T633-1349, 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 T633-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T633-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T633-1349
  • 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 T633-1349 available by request