S808-0212 Screening compound: (4aS,8aR)-6-isopentyl-1-(2-methoxyethyl)-4a-(morpholinocarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione

S808-0212 Screening compound: (4aS,8aR)-6-isopentyl-1-(2-methoxyethyl)-4a-(morpholinocarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
S808-0212 Screening compound: (4aS,8aR)-6-isopentyl-1-(2-methoxyethyl)-4a-(morpholinocarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S808-0212
(4aS,8aR)-6-isopentyl-1-(2-methoxyethyl)-4a-(morpholinocarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione

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

S808-0212

Molecular Formula

C20H37N3O5S (C20 H37 N3 O5 S)

Compound Name

(4aS,8aR)-6-isopentyl-1-(2-methoxyethyl)-4a-(morpholinocarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione

IUPAC name

(4aS8aR)-1-(2-methoxyethyl)-6-(3-methylbutyl)-4a-(morpholine-4-carbonyl)-octahydro-1H-2lambda6-pyrido[43-c][12]thiazine-22-dione

SMILES

CC(C)CCN(CC[C@H]1N(CCOC)S(CC2)(=O)=O)C[C@]12C(N1CCOCC1)=O

InChI

InChI=1S/C20H37N3O5S/c1-17(2)4-7-21-8-5-18-20(16-21,19(24)22-9-13-28-14-10-22)6-15-29(25,26)23(18)11-12-27-3/h17-18H,4-16H2,1-3H3/t18-,20+/m1/s1

InChI Key

UHFCAKQLNBZTQX-QUCCMNQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.694

Distribution Coefficient, logD

-0.081

Water Solubility, LogSw

-1.40

Polar Surface Area

68.591

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

95.00

S808-0212 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)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S808-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S808-0212?
Check Price and Availability of S808-0212, 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 S808-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S808-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S808-0212
  • 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 S808-0212 available by request