S808-0655 Screening compound: (4aS,8aR)-1-methyl-4a-(1-pyrrolidinylcarbonyl)-6-(2-thienylcarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione

S808-0655 Screening compound: (4aS,8aR)-1-methyl-4a-(1-pyrrolidinylcarbonyl)-6-(2-thienylcarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
S808-0655 Screening compound: (4aS,8aR)-1-methyl-4a-(1-pyrrolidinylcarbonyl)-6-(2-thienylcarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S808-0655
(4aS,8aR)-1-methyl-4a-(1-pyrrolidinylcarbonyl)-6-(2-thienylcarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-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

S808-0655

Molecular Formula

C18H25N3O4S2 (C18 H25 N3 O4 S2)

Compound Name

(4aS,8aR)-1-methyl-4a-(1-pyrrolidinylcarbonyl)-6-(2-thienylcarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione

IUPAC name

(4aS8aR)-1-methyl-4a-(pyrrolidine-1-carbonyl)-6-(thiophene-2-carbonyl)-octahydro-1H-2lambda6-pyrido[43-c][12]thiazine-22-dione

SMILES

CN([C@H](CCN(C1)C(c2cccs2)=O)[C@@]1(CC1)C(N2CCCC2)=O)S1(=O)=O

InChI

InChI=1S/C18H25N3O4S2/c1-19-15-6-10-21(16(22)14-5-4-11-26-14)13-18(15,7-12-27(19,24)25)17(23)20-8-2-3-9-20/h4-5,11,15H,2-3,6-10,12-13H2,1H3/t15-,18+/m1/s1

InChI Key

MQDCWGVFWBZUHR-QAPCUYQASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.116

Distribution Coefficient, logD

1.116

Water Solubility, LogSw

-2.20

Polar Surface Area

67.417

Acid Dissociation Constant (pKa)

20.70

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

S808-0655 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S808-0655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S808-0655?
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What is the minimum amount of S808-0655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S808-0655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S808-0655
  • 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 S808-0655 available by request