S688-2629 Screening compound: N-[1-methanesulfonyl-4-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide

S688-2629 Screening compound: N-[1-methanesulfonyl-4-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide
S688-2629 Screening compound: N-[1-methanesulfonyl-4-(2-methoxyethyl)piperidin-4-yl]-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-2629
N-[1-methanesulfonyl-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

S688-2629

Molecular Formula

C15H22N4O5S3 (C15 H22 N4 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

COCCC(CC1)(CCN1S(C)(=O)=O)NS(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C15H22N4O5S3/c1-24-11-8-15(6-9-19(10-7-15)26(2,20)21)18-27(22,23)13-5-3-4-12-14(13)17-25-16-12/h3-5,18H,6-11H2,1-2H3

InChI Key

VGRJAYOVBLQXBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32225408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.938

Distribution Coefficient, logD

0.934

Water Solubility, LogSw

-2.16

Polar Surface Area

102.830

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S688-2629 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S688-2629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-2629?
Check Price and Availability of S688-2629, 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 S688-2629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-2629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-2629
  • 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 S688-2629 available by request