S427-0847 Screening compound: 4-[(3-{[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

S427-0847 Screening compound: 4-[(3-{[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole
S427-0847 Screening compound: 4-[(3-{[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S427-0847
4-[(3-{[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

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

S427-0847

Molecular Formula

C18H17N7O3S2 (C18 H17 N7 O3 S2)

Compound Name

4-[(3-{[5-(pyrazin-2-yl)-1,2,4-oxadiazol-3-yl]methyl}piperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

IUPAC name

4-[(3-{[5-(pyrazin-2-yl)-124-oxadiazol-3-yl]methyl}piperidin-1-yl)sulfonyl]-213-benzothiadiazole

SMILES

O=S(c1cccc2nsnc12)(N1CC(Cc2noc(-c3nccnc3)n2)CCC1)=O

InChI

InChI=1S/C18H17N7O3S2/c26-30(27,15-5-1-4-13-17(15)24-29-23-13)25-8-2-3-12(11-25)9-16-21-18(28-22-16)14-10-19-6-7-20-14/h1,4-7,10,12H,2-3,8-9,11H2/t12-/m1/s1

InChI Key

KQZDHJKBFFHPLB-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD29006597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.091

Distribution Coefficient, logD

2.091

Water Solubility, LogSw

-2.24

Polar Surface Area

103.798

Acid Dissociation Constant (pKa)

25.36

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

S427-0847 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

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

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S427-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S427-0847?
Check Price and Availability of S427-0847, 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 S427-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S427-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S427-0847
  • 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 S427-0847 available by request