T619-4442 Screening compound: 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoquinoline

T619-4442 Screening compound: 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoquinoline
T619-4442 Screening compound: 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound T619-4442
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoquinoline

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

T619-4442

Molecular Formula

C20H20N4O2 (C20 H20 N4 O2)

Compound Name

1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]isoquinoline

IUPAC name

1-[2-(3-cyclopropyl-124-oxadiazol-5-yl)piperidine-1-carbonyl]isoquinoline

SMILES

O=C(c1nccc2ccccc12)N(CCCC1)C1c1nc(C2CC2)no1

InChI

InChI=1S/C20H20N4O2/c25-20(17-15-6-2-1-5-13(15)10-11-21-17)24-12-4-3-7-16(24)19-22-18(23-26-19)14-8-9-14/h1-2,5-6,10-11,14,16H,3-4,7-9,12H2/t16-/m0/s1

InChI Key

YCHLWJGOYHXDPU-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29027836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.32

Polar Surface Area

58.056

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

T619-4442 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with T619-4442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T619-4442?
Check Price and Availability of T619-4442, 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 T619-4442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T619-4442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T619-4442
  • 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 T619-4442 available by request