S808-0298 Screening compound: (4aS,8aR)-6-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-4a-(morpholinocarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione

S808-0298 Screening compound: (4aS,8aR)-6-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-1-(2-methoxyethyl)-4a-(morpholinocarbonyl)octahydro-2lambda~6~-pyrido[4,3-c][1,2]thiazine-2,2(1H)-dione
S808-0298 Screening compound: (4aS,8aR)-6-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-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 S808-0298
(4aS,8aR)-6-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-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

S808-0298

Molecular Formula

C22H37N5O5S (C22 H37 N5 O5 S)

Compound Name

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

IUPAC name

n/a

SMILES

CC(C)n1ncc(CN(CC[C@H]2N(CCOC)S(CC3)(=O)=O)C[C@]23C(N2CCOCC2)=O)c1

InChI

InChI=1S/C22H37N5O5S/c1-18(2)26-16-19(14-23-26)15-24-6-4-20-22(17-24,21(28)25-7-11-32-12-8-25)5-13-33(29,30)27(20)9-10-31-3/h14,16,18,20H,4-13,15,17H2,1-3H3/t20-,22+/m1/s1

InChI Key

CIGSPLQWEPJSDV-IRLDBZIGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.351

Distribution Coefficient, logD

-5.342

Water Solubility, LogSw

-1.12

Polar Surface Area

83.302

Acid Dissociation Constant (pKa)

21.00

Base Dissociation Constant (pKb)

12.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

81.80

S808-0298 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S808-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S808-0298?
Check Price and Availability of S808-0298, 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 S808-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S808-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S808-0298
  • 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 S808-0298 available by request