S688-2415 Screening compound: N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide

S688-2415 Screening compound: N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide
S688-2415 Screening compound: N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-2415
N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)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

S688-2415

Molecular Formula

C18H26N4O3S2 (C18 H26 N4 O3 S2)

Compound Name

N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-[1-(cyclopropylmethyl)-4-(2-methoxyethyl)piperidin-4-yl]-213-benzothiadiazole-4-sulfonamide

SMILES

COCCC1(CCN(CC2CC2)CC1)NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C18H26N4O3S2/c1-25-12-9-18(7-10-22(11-8-18)13-14-5-6-14)21-27(23,24)16-4-2-3-15-17(16)20-26-19-15/h2-4,14,21H,5-13H2,1H3

InChI Key

BMNJLNVKZGJCAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31996833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.306

Distribution Coefficient, logD

-0.789

Water Solubility, LogSw

-2.59

Polar Surface Area

75.611

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

10.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

S688-2415 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S688-2415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-2415?
Check Price and Availability of S688-2415, 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 S688-2415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-2415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-2415
  • 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 S688-2415 available by request