S688-0297 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-4-(2-methoxyethyl)-N,N-dimethylpiperidin-4-amine

S688-0297 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-4-(2-methoxyethyl)-N,N-dimethylpiperidin-4-amine
S688-0297 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-4-(2-methoxyethyl)-N,N-dimethylpiperidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-0297
1-(2,1,3-benzothiadiazole-4-sulfonyl)-4-(2-methoxyethyl)-N,N-dimethylpiperidin-4-amine

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

S688-0297

Molecular Formula

C16H24N4O3S2 (C16 H24 N4 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-4-(2-methoxyethyl)-N,N-dimethylpiperidin-4-amine

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-4-(2-methoxyethyl)-NN-dimethylpiperidin-4-amine

SMILES

CN(C)C(CCOC)(CC1)CCN1S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C16H24N4O3S2/c1-19(2)16(9-12-23-3)7-10-20(11-8-16)25(21,22)14-6-4-5-13-15(14)18-24-17-13/h4-6H,7-12H2,1-3H3

InChI Key

QZPSDKSXZXCXHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.124

Distribution Coefficient, logD

0.443

Water Solubility, LogSw

-2.35

Polar Surface Area

63.638

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

S688-0297 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S688-0297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-0297?
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What is the minimum amount of S688-0297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-0297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-0297
  • 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 S688-0297 available by request