S808-0344 Screening compound: (8aR)-6-(1H-indol-5-ylcarbonyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide

S808-0344 Screening compound: (8aR)-6-(1H-indol-5-ylcarbonyl)-N~4a~,N~4a~,1-trimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
S808-0344 Screening compound: (8aR)-6-(1H-indol-5-ylcarbonyl)-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 S808-0344
(8aR)-6-(1H-indol-5-ylcarbonyl)-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

S808-0344

Molecular Formula

C20H26N4O4S (C20 H26 N4 O4 S)

Compound Name

(8aR)-6-(1H-indol-5-ylcarbonyl)-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-(1H-indole-5-carbonyl)-NN1-trimethyl-22-dioxo-octahydro-1H-2lambda6-pyrido[43-c][12]thiazine-4a-carboxamide

SMILES

CN(C)C([C@@](CC1)(CN(CC2)C(c(cc3)cc4c3[nH]cc4)=O)[C@@H]2N(C)S1(=O)=O)=O

InChI

InChI=1S/C20H26N4O4S/c1-22(2)19(26)20-8-11-29(27,28)23(3)17(20)7-10-24(13-20)18(25)15-4-5-16-14(12-15)6-9-21-16/h4-6,9,12,17,21H,7-8,10-11,13H2,1-3H3/t17-,20+/m1/s1

InChI Key

QDRUWBGLCGSJOW-XLIONFOSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.197

Distribution Coefficient, logD

-0.197

Water Solubility, LogSw

-2.52

Polar Surface Area

75.166

Acid Dissociation Constant (pKa)

17.05

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

S808-0344 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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 S808-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S808-0344?
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What is the minimum amount of S808-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S808-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S808-0344
  • 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 S808-0344 available by request