S808-0348 Screening compound: (8aR)-N~4a~,N~4a~,1-trimethyl-2,2-dioxo-6-[2-(3-pyridyl)acetyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide

S808-0348 Screening compound: (8aR)-N~4a~,N~4a~,1-trimethyl-2,2-dioxo-6-[2-(3-pyridyl)acetyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
S808-0348 Screening compound: (8aR)-N~4a~,N~4a~,1-trimethyl-2,2-dioxo-6-[2-(3-pyridyl)acetyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S808-0348
(8aR)-N~4a~,N~4a~,1-trimethyl-2,2-dioxo-6-[2-(3-pyridyl)acetyl]octahydro-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

S808-0348

Molecular Formula

C18H26N4O4S (C18 H26 N4 O4 S)

Compound Name

(8aR)-N~4a~,N~4a~,1-trimethyl-2,2-dioxo-6-[2-(3-pyridyl)acetyl]octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide

IUPAC name

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

SMILES

CN(C)C([C@@](CC1)(CN(CC2)C(Cc3cnccc3)=O)[C@@H]2N(C)S1(=O)=O)=O

InChI

InChI=1S/C18H26N4O4S/c1-20(2)17(24)18-7-10-27(25,26)21(3)15(18)6-9-22(13-18)16(23)11-14-5-4-8-19-12-14/h4-5,8,12,15H,6-7,9-11,13H2,1-3H3/t15-,18+/m1/s1

InChI Key

NAPUPTYDBVZWEY-QAPCUYQASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.057

Distribution Coefficient, logD

-1.065

Water Solubility, LogSw

-1.20

Polar Surface Area

74.375

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.11

S808-0348 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S808-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S808-0348?
Check Price and Availability of S808-0348, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S808-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S808-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S808-0348
  • 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 S808-0348 available by request