T619-3612 Screening compound: 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

T619-3612 Screening compound: 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine
T619-3612 Screening compound: 2-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T619-3612
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]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

T619-3612

Molecular Formula

C18H20FN5O2 (C18 H20 FN5 O2)

Compound Name

2-(3-ethyl-1,2,4-oxadiazol-5-yl)-1-{[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidine

IUPAC name

2-(3-ethyl-124-oxadiazol-5-yl)-1-{[3-(2-fluorophenyl)-124-oxadiazol-5-yl]methyl}piperidine

SMILES

CCc1noc(C2N(Cc3nc(-c(cccc4)c4F)no3)CCCC2)n1

InChI

InChI=1S/C18H20FN5O2/c1-2-15-20-18(26-22-15)14-9-5-6-10-24(14)11-16-21-17(23-25-16)12-7-3-4-8-13(12)19/h3-4,7-8,14H,2,5-6,9-11H2,1H3/t14-/m0/s1

InChI Key

HEGGRRVBKADTNN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29030419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.67

Polar Surface Area

67.841

Acid Dissociation Constant (pKa)

27.43

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

T619-3612 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)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T619-3612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T619-3612?
Check Price and Availability of T619-3612, 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 T619-3612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T619-3612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T619-3612
  • 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 T619-3612 available by request