S798-0058 Screening compound: (8aR,11aS)-1-[(5-methyl-2-pyrazinyl)carbonyl]decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one

S798-0058 Screening compound: (8aR,11aS)-1-[(5-methyl-2-pyrazinyl)carbonyl]decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one
S798-0058 Screening compound: (8aR,11aS)-1-[(5-methyl-2-pyrazinyl)carbonyl]decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S798-0058
(8aR,11aS)-1-[(5-methyl-2-pyrazinyl)carbonyl]decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one

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

S798-0058

Molecular Formula

C16H22N4O3 (C16 H22 N4 O3)

Compound Name

(8aR,11aS)-1-[(5-methyl-2-pyrazinyl)carbonyl]decahydrocyclopenta[e][1,4,8]oxadiazecin-8(5H)-one

IUPAC name

n/a

SMILES

Cc(nc1)cnc1C(N(CCOCCN1)[C@@H](CCC2)[C@@H]2C1=O)=O

InChI

InChI=1S/C16H22N4O3/c1-11-9-19-13(10-18-11)16(22)20-6-8-23-7-5-17-15(21)12-3-2-4-14(12)20/h9-10,12,14H,2-8H2,1H3,(H,17,21)/t12-,14+/m1/s1

InChI Key

XPRFDLGGPJXEBJ-OCCSQVGLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.231

Distribution Coefficient, logD

-0.231

Water Solubility, LogSw

-1.80

Polar Surface Area

67.864

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

S798-0058 in Drug Discovery

Included in Screening Libraries

Macrocycles Library (2450 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S798-0058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S798-0058?
Check Price and Availability of S798-0058, 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 S798-0058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S798-0058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S798-0058
  • 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 S798-0058 available by request