T619-4678 Screening compound: 1-{2-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one

T619-4678 Screening compound: 1-{2-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one
T619-4678 Screening compound: 1-{2-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T619-4678
1-{2-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one

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

T619-4678

Molecular Formula

C17H17N5O2S (C17 H17 N5 O2 S)

Compound Name

1-{2-[3-(pyrazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one

IUPAC name

1-{2-[3-(pyrazin-2-yl)-124-oxadiazol-5-yl]piperidin-1-yl}-2-(thiophen-2-yl)ethan-1-one

SMILES

O=C(Cc1cccs1)N(CCCC1)C1c1nc(-c2nccnc2)no1

InChI

InChI=1S/C17H17N5O2S/c23-15(10-12-4-3-9-25-12)22-8-2-1-5-14(22)17-20-16(21-24-17)13-11-18-6-7-19-13/h3-4,6-7,9,11,14H,1-2,5,8,10H2/t14-/m0/s1

InChI Key

XZWKJDGWKSERMB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD29027850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

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

2.046

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-1.78

Polar Surface Area

67.043

Acid Dissociation Constant (pKa)

22.63

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

T619-4678 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T619-4678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T619-4678?
Check Price and Availability of T619-4678, 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 T619-4678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T619-4678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T619-4678
  • 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 T619-4678 available by request