S730-0259 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one

S730-0259 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one
S730-0259 Screening compound: 1-(2,1,3-benzothiadiazole-4-sulfonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S730-0259
1-(2,1,3-benzothiadiazole-4-sulfonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one

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

S730-0259

Molecular Formula

C17H21N5O3S2 (C17 H21 N5 O3 S2)

Compound Name

1-(2,1,3-benzothiadiazole-4-sulfonyl)-hexahydro-1'H-spiro[piperidine-4,7'-pyrrolo[1,2-a]pyrazin]-1'-one

IUPAC name

1-(213-benzothiadiazole-4-sulfonyl)-hexahydro-1'H-spiro[piperidine-47'-pyrrolo[12-a]pyrazin]-1'-one

SMILES

O=C1NCCN(C2)C1CC2(CC1)CCN1S(c1cccc2nsnc12)(=O)=O

InChI

InChI=1S/C17H21N5O3S2/c23-16-13-10-17(11-21(13)9-6-18-16)4-7-22(8-5-17)27(24,25)14-3-1-2-12-15(14)20-26-19-12/h1-3,13H,4-11H2,(H,18,23)/t13-/m1/s1

InChI Key

XQCSYXYNUPPIMA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD29016188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.876

Distribution Coefficient, logD

-0.009

Water Solubility, LogSw

-2.27

Polar Surface Area

81.361

Acid Dissociation Constant (pKa)

14.50

Base Dissociation Constant (pKb)

8.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.80

S730-0259 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

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

Eccentric PPI Library (11937 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S730-0259 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S730-0259?
Check Price and Availability of S730-0259, 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 S730-0259 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S730-0259
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S730-0259
  • 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 S730-0259 available by request