S588-0477 Screening compound: 4-(cyclopropylmethyl)-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione

S588-0477 Screening compound: 4-(cyclopropylmethyl)-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione
S588-0477 Screening compound: 4-(cyclopropylmethyl)-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S588-0477
4-(cyclopropylmethyl)-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-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

S588-0477

Molecular Formula

C15H22N4O4S2 (C15 H22 N4 O4 S2)

Compound Name

4-(cyclopropylmethyl)-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1lambda~4~-thia-4,8-diazaspiro[4.5]decane-1,3-dione

IUPAC name

4-(cyclopropylmethyl)-8-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-1lambda4-thia-48-diazaspiro[4.5]decane-13-dione

SMILES

Cn1cnc(S(N(CC2)CCC2(N(CC2CC2)C(C2)=O)S2=O)(=O)=O)c1

InChI

InChI=1S/C15H24N4O4S2/c1-17-9-13(16-11-17)25(22,23)18-6-4-15(5-7-18)19(8-12-2-3-12)14(20)10-24(15)21/h9,11-12H,2-8,10,24H2,1H3

InChI Key

SFORJYFXMNUFGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29015125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.010

Distribution Coefficient, logD

-0.010

Water Solubility, LogSw

-1.35

Polar Surface Area

76.306

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.30

S588-0477 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS MPO Library (28609 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)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S588-0477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S588-0477?
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What is the minimum amount of S588-0477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S588-0477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S588-0477
  • 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 S588-0477 available by request