5794-0077 Screening compound: 8a-hydroxy-2,3,4a-trimethyl-4a,5,6,7,8,8a-hexahydroquinoxaline-1,4-diium-1,4-bis(olate)

5794-0077 Screening compound: 8a-hydroxy-2,3,4a-trimethyl-4a,5,6,7,8,8a-hexahydroquinoxaline-1,4-diium-1,4-bis(olate)
5794-0077 Screening compound: 8a-hydroxy-2,3,4a-trimethyl-4a,5,6,7,8,8a-hexahydroquinoxaline-1,4-diium-1,4-bis(olate) alternative view

Chemical Structure Depiction of ChemDiv screening compound 5794-0077
8a-hydroxy-2,3,4a-trimethyl-4a,5,6,7,8,8a-hexahydroquinoxaline-1,4-diium-1,4-bis(olate)

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

5794-0077

Molecular Formula

C11H18N2O3 (C11 H18 N2 O3)

Compound Name

8a-hydroxy-2,3,4a-trimethyl-4a,5,6,7,8,8a-hexahydroquinoxaline-1,4-diium-1,4-bis(olate)

IUPAC name

8a-hydroxy-234a-trimethyl-4a56788a-hexahydroquinoxaline-14-diium-14-bis(olate)

SMILES

CC(CCCC1)(C11O)[N+]([O-])=C(C)C(C)=[N+]1[O-]

InChI

InChI=1S/C11H18N2O3/c1-8-9(2)13(16)11(14)7-5-4-6-10(11,3)12(8)15/h14H,4-7H2,1-3H3

InChI Key

XGWUMAMUFQMZKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09503417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.265

Distribution Coefficient, logD

1.265

Water Solubility, LogSw

-0.90

Polar Surface Area

55.275

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

81.80

5794-0077 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5794-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5794-0077?
Check Price and Availability of 5794-0077, 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 5794-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5794-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5794-0077
  • 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 5794-0077 available by request