S856-0120 Screening compound: N-{[2-(cyclopropylmethyl)-2-azaspiro[4.5]decan-4-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

S856-0120 Screening compound: N-{[2-(cyclopropylmethyl)-2-azaspiro[4.5]decan-4-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
S856-0120 Screening compound: N-{[2-(cyclopropylmethyl)-2-azaspiro[4.5]decan-4-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S856-0120
N-{[2-(cyclopropylmethyl)-2-azaspiro[4.5]decan-4-yl]methyl}-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

S856-0120

Molecular Formula

C20H28N4O2S2 (C20 H28 N4 O2 S2)

Compound Name

N-{[2-(cyclopropylmethyl)-2-azaspiro[4.5]decan-4-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

IUPAC name

N-{[2-(cyclopropylmethyl)-2-azaspiro[4.5]decan-4-yl]methyl}-213-benzothiadiazole-4-sulfonamide

SMILES

O=S(c1cccc2nsnc12)(NCC(CN(CC1CC1)C1)C11CCCCC1)=O

InChI

InChI=1S/C20H28N4O2S2/c25-28(26,18-6-4-5-17-19(18)23-27-22-17)21-11-16-13-24(12-15-7-8-15)14-20(16)9-2-1-3-10-20/h4-6,15-16,21H,1-3,7-14H2/t16-/m0/s1

InChI Key

DPGJFUXUTAMXHW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD31995503

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

-1.044

Water Solubility, LogSw

-3.82

Polar Surface Area

67.359

Acid Dissociation Constant (pKa)

9.97

Base Dissociation Constant (pKb)

11.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

S856-0120 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S856-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S856-0120?
Check Price and Availability of S856-0120, 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 S856-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S856-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S856-0120
  • 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 S856-0120 available by request