C066-5564 Screening compound: 1,4-dimethyl-6-{[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione

C066-5564 Screening compound: 1,4-dimethyl-6-{[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione
C066-5564 Screening compound: 1,4-dimethyl-6-{[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5564
1,4-dimethyl-6-{[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]sulfonyl}-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

C066-5564

Molecular Formula

C14H16N4O4S2 (C14 H16 N4 O4 S2)

Compound Name

1,4-dimethyl-6-{[2-(methylsulfanyl)-4,5-dihydro-1H-imidazol-1-yl]sulfonyl}-1,2,3,4-tetrahydroquinoxaline-2,3-dione

IUPAC name

14-dimethyl-6-{[2-(methylsulfanyl)-45-dihydro-1H-imidazol-1-yl]sulfonyl}-1234-tetrahydroquinoxaline-23-dione

SMILES

CN(c(ccc(S(N1C(SC)=NCC1)(=O)=O)c1)c1N(C)C1=O)C1=O

InChI

InChI=1S/C14H16N4O4S2/c1-16-10-5-4-9(8-11(10)17(2)13(20)12(16)19)24(21,22)18-7-6-15-14(18)23-3/h4-5,8H,6-7H2,1-3H3

InChI Key

CBBUGWSZPMFJDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

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

0.319

Distribution Coefficient, logD

0.319

Water Solubility, LogSw

-2.21

Polar Surface Area

73.313

Acid Dissociation Constant (pKa)

30.46

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

C066-5564 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C066-5564 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5564?
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What is the minimum amount of C066-5564 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5564
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5564
  • 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 C066-5564 available by request