S661-1338 Screening compound: 2'-ethyl-1-methanesulfonyl-hexahydrospiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'-dione

S661-1338 Screening compound: 2'-ethyl-1-methanesulfonyl-hexahydrospiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'-dione
S661-1338 Screening compound: 2'-ethyl-1-methanesulfonyl-hexahydrospiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S661-1338
2'-ethyl-1-methanesulfonyl-hexahydrospiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'-dione

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

S661-1338

Molecular Formula

C13H21N3O4S (C13 H21 N3 O4 S)

Compound Name

2'-ethyl-1-methanesulfonyl-hexahydrospiro[piperidine-4,6'-pyrrolo[1,2-c]imidazole]-1',3'-dione

IUPAC name

2'-ethyl-1-methanesulfonyl-hexahydrospiro[piperidine-46'-pyrrolo[12-c]imidazole]-1'3'-dione

SMILES

CCN(C(C(C1)N2CC1(CC1)CCN1S(C)(=O)=O)=O)C2=O

InChI

InChI=1S/C13H21N3O4S/c1-3-15-11(17)10-8-13(9-16(10)12(15)18)4-6-14(7-5-13)21(2,19)20/h10H,3-9H2,1-2H3/t10-/m1/s1

InChI Key

COCAEADFSXCJKP-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD29015911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.052

Distribution Coefficient, logD

0.052

Water Solubility, LogSw

-1.22

Polar Surface Area

64.456

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

84.60

S661-1338 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

CNS MPO Library (28609 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
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 S661-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S661-1338?
Check Price and Availability of S661-1338, 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 S661-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S661-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S661-1338
  • 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 S661-1338 available by request