C393-0013 Screening compound: ethyl 6-{5-[({8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate

C393-0013 Screening compound: ethyl 6-{5-[({8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate
C393-0013 Screening compound: ethyl 6-{5-[({8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C393-0013
ethyl 6-{5-[({8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate

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

C393-0013

Molecular Formula

C22H23BrN6O4S (C22 H23 BrN6 O4 S)

Compound Name

ethyl 6-{5-[({8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate

IUPAC name

ethyl 6-{5-[({8-bromo-5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)methyl]-2-oxo-23-dihydro-1H-imidazol-4-yl}-6-oxohexanoate

SMILES

CCOC(CCCCC(C(N1)=C(CSc2nnc(c(cc(cc3)Br)c3n3C)c3n2)NC1=O)=O)=O

InChI

InChI=1S/C22H23BrN6O4S/c1-3-33-17(31)7-5-4-6-16(30)19-14(24-21(32)25-19)11-34-22-26-20-18(27-28-22)13-10-12(23)8-9-15(13)29(20)2/h8-10H,3-7,11H2,1-2H3,(H2,24,25,32)

InChI Key

AAKZCIHQRMMMAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14755876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

-0.222

Water Solubility, LogSw

-3.39

Polar Surface Area

103.060

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C393-0013 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C393-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C393-0013?
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What is the minimum amount of C393-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C393-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C393-0013
  • 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 C393-0013 available by request