C515-0094 Screening compound: 6-[(4-CYCLOHEXYLPIPERAZIN-1-YL)SULFONYL]-1,4-DIMETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-2,3-DIONE

C515-0094 Screening compound: 6-[(4-CYCLOHEXYLPIPERAZIN-1-YL)SULFONYL]-1,4-DIMETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-2,3-DIONE
C515-0094 Screening compound: 6-[(4-CYCLOHEXYLPIPERAZIN-1-YL)SULFONYL]-1,4-DIMETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-2,3-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C515-0094
6-[(4-CYCLOHEXYLPIPERAZIN-1-YL)SULFONYL]-1,4-DIMETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-2,3-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

C515-0094

Molecular Formula

C20H28N4O4S (C20 H28 N4 O4 S)

Compound Name

6-[(4-CYCLOHEXYLPIPERAZIN-1-YL)SULFONYL]-1,4-DIMETHYL-1,2,3,4-TETRAHYDROQUINOXALINE-2,3-DIONE

IUPAC name

6-[(4-cyclohexylpiperazin-1-yl)sulfonyl]-14-dimethyl-1234-tetrahydroquinoxaline-23-dione

SMILES

CN(c(ccc(S(N(CC1)CCN1C1CCCCC1)(=O)=O)c1)c1N(C)C1=O)C1=O

InChI

InChI=1S/C20H28N4O4S/c1-21-17-9-8-16(14-18(17)22(2)20(26)19(21)25)29(27,28)24-12-10-23(11-13-24)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3

InChI Key

MSBJCTPWBWYPMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.435

Distribution Coefficient, logD

1.356

Water Solubility, LogSw

-2.41

Polar Surface Area

65.402

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

6.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C515-0094 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C515-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C515-0094?
Check Price and Availability of C515-0094, 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 C515-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C515-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C515-0094
  • 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 C515-0094 available by request