T619-3956 Screening compound: 1-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}isoquinoline

T619-3956 Screening compound: 1-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}isoquinoline
T619-3956 Screening compound: 1-{2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound T619-3956
1-{2-[3-(methoxymethyl)-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

T619-3956

Molecular Formula

C19H20N4O3 (C19 H20 N4 O3)

Compound Name

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

IUPAC name

1-{2-[3-(methoxymethyl)-124-oxadiazol-5-yl]piperidine-1-carbonyl}isoquinoline

SMILES

COCc1noc(C(CCCC2)N2C(c2nccc3ccccc23)=O)n1

InChI

InChI=1S/C19H20N4O3/c1-25-12-16-21-18(26-22-16)15-8-4-5-11-23(15)19(24)17-14-7-3-2-6-13(14)9-10-20-17/h2-3,6-7,9-10,15H,4-5,8,11-12H2,1H3/t15-/m0/s1

InChI Key

MSCXSTRNZMWRRI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD22387516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

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

2.305

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-2.64

Polar Surface Area

67.219

Acid Dissociation Constant (pKa)

26.92

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

T619-3956 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T619-3956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T619-3956?
Check Price and Availability of T619-3956, 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 T619-3956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T619-3956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T619-3956
  • 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 T619-3956 available by request