S808-0887 Screening compound: (8aR)-N~4a~,1-dimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide

S808-0887 Screening compound: (8aR)-N~4a~,1-dimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide
S808-0887 Screening compound: (8aR)-N~4a~,1-dimethyl-2,2-dioxooctahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-4a(2H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S808-0887
(8aR)-N~4a~,1-dimethyl-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

S808-0887

Molecular Formula

C10H19N3O3S (C10 H19 N3 O3 S)

Compound Name

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

IUPAC name

(4aS8aR)-N1-dimethyl-22-dioxo-octahydro-1H-2lambda6-pyrido[43-c][12]thiazine-4a-carboxamide

SMILES

CNC([C@@](CC1)(CNCC2)[C@@H]2N(C)S1(=O)=O)=O

InChI

InChI=1S/C10H19N3O3S/c1-11-9(14)10-4-6-17(15,16)13(2)8(10)3-5-12-7-10/h8,12H,3-7H2,1-2H3,(H,11,14)/t8-,10+/m1/s1

InChI Key

NYNBZRSYZCWLKY-SCZZXKLOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.729

Distribution Coefficient, logD

-3.280

Water Solubility, LogSw

-1.34

Polar Surface Area

69.722

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

8.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

90.00

S808-0887 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S808-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S808-0887?
Check Price and Availability of S808-0887, 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 S808-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S808-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S808-0887
  • 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 S808-0887 available by request