T619-3456 Screening compound: 5-{1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidyl}-3-(3-pyridyl)-1,2,4-oxadiazole

T619-3456 Screening compound: 5-{1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidyl}-3-(3-pyridyl)-1,2,4-oxadiazole
T619-3456 Screening compound: 5-{1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidyl}-3-(3-pyridyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T619-3456
5-{1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidyl}-3-(3-pyridyl)-1,2,4-oxadiazole

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

T619-3456

Molecular Formula

C18H20N6O2 (C18 H20 N6 O2)

Compound Name

5-{1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-piperidyl}-3-(3-pyridyl)-1,2,4-oxadiazole

IUPAC name

3-(5-{1-[(3-cyclopropyl-124-oxadiazol-5-yl)methyl]piperidin-2-yl}-124-oxadiazol-3-yl)pyridine

SMILES

C(c1nc(C2CC2)no1)N(CCCC1)C1c1nc(-c2cnccc2)no1

InChI

InChI=1S/C18H20N6O2/c1-2-9-24(11-15-20-16(22-25-15)12-6-7-12)14(5-1)18-21-17(23-26-18)13-4-3-8-19-10-13/h3-4,8,10,12,14H,1-2,5-7,9,11H2/t14-/m0/s1

InChI Key

SAMIKFGEDOIUEV-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29023615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.868

Distribution Coefficient, logD

2.229

Water Solubility, LogSw

-2.63

Polar Surface Area

76.620

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

T619-3456 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T619-3456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T619-3456?
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What is the minimum amount of T619-3456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T619-3456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T619-3456
  • 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 T619-3456 available by request