S688-1213 Screening compound: N~1~-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methoxyethyl)-4-piperidyl]-1-cyclopropanecarboxamide

S688-1213 Screening compound: N~1~-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methoxyethyl)-4-piperidyl]-1-cyclopropanecarboxamide
S688-1213 Screening compound: N~1~-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methoxyethyl)-4-piperidyl]-1-cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S688-1213
N~1~-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methoxyethyl)-4-piperidyl]-1-cyclopropanecarboxamide

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

S688-1213

Molecular Formula

C20H28N2O6S (C20 H28 N2 O6 S)

Compound Name

N~1~-[1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-(2-methoxyethyl)-4-piperidyl]-1-cyclopropanecarboxamide

IUPAC name

N-[1-(23-dihydro-14-benzodioxine-6-sulfonyl)-4-(2-methoxyethyl)piperidin-4-yl]cyclopropanecarboxamide

SMILES

COCCC(CC1)(CCN1S(c(cc1)cc2c1OCCO2)(=O)=O)NC(C1CC1)=O

InChI

InChI=1S/C20H28N2O6S/c1-26-11-8-20(21-19(23)15-2-3-15)6-9-22(10-7-20)29(24,25)16-4-5-17-18(14-16)28-13-12-27-17/h4-5,14-15H,2-3,6-13H2,1H3,(H,21,23)

InChI Key

JJOGDLGRWJGCIR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.232

Distribution Coefficient, logD

1.232

Water Solubility, LogSw

-2.50

Polar Surface Area

80.901

Acid Dissociation Constant (pKa)

16.47

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

S688-1213 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S688-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S688-1213?
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What is the minimum amount of S688-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S688-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S688-1213
  • 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 S688-1213 available by request