2683-0082 Screening compound: ethyl 6-{5-[({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate

2683-0082 Screening compound: ethyl 6-{5-[({5-ethyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate
2683-0082 Screening compound: ethyl 6-{5-[({5-ethyl-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 2683-0082
ethyl 6-{5-[({5-ethyl-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

2683-0082

Molecular Formula

C23H26N6O4S (C23 H26 N6 O4 S)

Compound Name

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

SMILES

CCn1c2nc(SCC(N3)=C(C(CCCCC(OCC)=O)=O)NC3=O)nnc2c2c1cccc2

InChI

InChI=1S/C23H26N6O4S/c1-3-29-16-10-6-5-9-14(16)19-21(29)26-23(28-27-19)34-13-15-20(25-22(32)24-15)17(30)11-7-8-12-18(31)33-4-2/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3,(H2,24,25,32)

InChI Key

ZECIYULHYNZKAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

-0.348

Water Solubility, LogSw

-3.27

Polar Surface Area

101.975

Acid Dissociation Constant (pKa)

4.13

Base Dissociation Constant (pKb)

1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

2683-0082 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 2683-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2683-0082?
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What is the minimum amount of 2683-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2683-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2683-0082
  • 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 2683-0082 available by request