S808-0359 Screening compound: (8aR)-6-(3-fluoro-4-methylbenzoyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide

S808-0359 Screening compound: (8aR)-6-(3-fluoro-4-methylbenzoyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
S808-0359 Screening compound: (8aR)-6-(3-fluoro-4-methylbenzoyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S808-0359
(8aR)-6-(3-fluoro-4-methylbenzoyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide

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

S808-0359

Molecular Formula

C19H26FN3O4S (C19 H26 FN3 O4 S)

Compound Name

(8aR)-6-(3-fluoro-4-methylbenzoyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide

IUPAC name

(4aS8aR)-6-(3-fluoro-4-methylbenzoyl)-NN1-trimethyl-22-dioxo-octahydro-1H-2lambda6-pyrido[43-c][12]thiazine-4a-carboxamide

SMILES

Cc(ccc(C(N(CC[C@H]1N(C)S(CC2)(=O)=O)C[C@]12C(N(C)C)=O)=O)c1)c1F

InChI

InChI=1S/C19H26FN3O4S/c1-13-5-6-14(11-15(13)20)17(24)23-9-7-16-19(12-23,18(25)21(2)3)8-10-28(26,27)22(16)4/h5-6,11,16H,7-10,12H2,1-4H3/t16-,19+/m1/s1

InChI Key

QFZDRDOPORSMTC-APWZRJJASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

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

0.449

Distribution Coefficient, logD

0.449

Water Solubility, LogSw

-2.14

Polar Surface Area

65.385

Acid Dissociation Constant (pKa)

20.70

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

S808-0359 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 S808-0359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S808-0359?
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What is the minimum amount of S808-0359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S808-0359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S808-0359
  • 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 S808-0359 available by request