T619-3469 Screening compound: 3-({2-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]piperidino}methyl)benzonitrile

T619-3469 Screening compound: 3-({2-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]piperidino}methyl)benzonitrile
T619-3469 Screening compound: 3-({2-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]piperidino}methyl)benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T619-3469
3-({2-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]piperidino}methyl)benzonitrile

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

T619-3469

Molecular Formula

C20H19N5O (C20 H19 N5 O)

Compound Name

3-({2-[3-(3-pyridyl)-1,2,4-oxadiazol-5-yl]piperidino}methyl)benzonitrile

IUPAC name

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

SMILES

N#Cc1cccc(CN(CCCC2)C2c2nc(-c3cnccc3)no2)c1

InChI

InChI=1S/C20H19N5O/c21-12-15-5-3-6-16(11-15)14-25-10-2-1-8-18(25)20-23-19(24-26-20)17-7-4-9-22-13-17/h3-7,9,11,13,18H,1-2,8,10,14H2

InChI Key

BAYJPNITAGTAPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20754601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

2.437

Water Solubility, LogSw

-2.77

Polar Surface Area

61.810

Acid Dissociation Constant (pKa)

26.85

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

T619-3469 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 T619-3469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T619-3469?
Check Price and Availability of T619-3469, 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 T619-3469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T619-3469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T619-3469
  • 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 T619-3469 available by request