S808-0389 Screening compound: (8aR)-N~6~-(2-furylmethyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxohexahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a,6(2H,5H)-dicarboxamide

S808-0389 Screening compound: (8aR)-N~6~-(2-furylmethyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxohexahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a,6(2H,5H)-dicarboxamide
S808-0389 Screening compound: (8aR)-N~6~-(2-furylmethyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxohexahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a,6(2H,5H)-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S808-0389
(8aR)-N~6~-(2-furylmethyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxohexahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a,6(2H,5H)-dicarboxamide

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

S808-0389

Molecular Formula

C17H26N4O5S (C17 H26 N4 O5 S)

Compound Name

(8aR)-N~6~-(2-furylmethyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxohexahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a,6(2H,5H)-dicarboxamide

IUPAC name

(4aS8aR)-N6-[(furan-2-yl)methyl]-1N4aN4a-trimethyl-22-dioxo-octahydro-1H-2lambda6-pyrido[43-c][12]thiazine-4a6-dicarboxamide

SMILES

CN(C)C([C@@](CC1)(CN(CC2)C(NCc3ccco3)=O)[C@@H]2N(C)S1(=O)=O)=O

InChI

InChI=1S/C17H26N4O5S/c1-19(2)15(22)17-7-10-27(24,25)20(3)14(17)6-8-21(12-17)16(23)18-11-13-5-4-9-26-13/h4-5,9,14H,6-8,10-12H2,1-3H3,(H,18,23)/t14-,17+/m1/s1

InChI Key

OHZQMWSRANUYRL-PBHICJAKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.377

Distribution Coefficient, logD

-0.377

Water Solubility, LogSw

-2.06

Polar Surface Area

83.277

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

64.71

S808-0389 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S808-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S808-0389?
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What is the minimum amount of S808-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S808-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S808-0389
  • 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 S808-0389 available by request