S848-0079 Screening compound: N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide

S848-0079 Screening compound: N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide
S848-0079 Screening compound: N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S848-0079
N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide

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

S848-0079

Molecular Formula

C16H18N6O3S2 (C16 H18 N6 O3 S2)

Compound Name

N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-3-yl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-[1-(1-methyl-6-oxo-16-dihydropyridazin-3-yl)piperidin-4-yl]-213-benzothiadiazole-4-sulfonamide

SMILES

CN(C(C=C1)=O)N=C1N(CC1)CCC1NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C16H18N6O3S2/c1-21-15(23)6-5-14(17-21)22-9-7-11(8-10-22)20-27(24,25)13-4-2-3-12-16(13)19-26-18-12/h2-6,11,20H,7-10H2,1H3

InChI Key

QUJULNTWCZSTKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32228429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.120

Distribution Coefficient, logD

1.116

Water Solubility, LogSw

-2.13

Polar Surface Area

94.532

Acid Dissociation Constant (pKa)

9.46

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

S848-0079 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S848-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S848-0079?
Check Price and Availability of S848-0079, 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 S848-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S848-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S848-0079
  • 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 S848-0079 available by request