8006-2598 Screening compound: ethyl 6-{5-[({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

8006-2598 Screening compound: ethyl 6-{5-[({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
8006-2598 Screening compound: ethyl 6-{5-[({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 8006-2598
ethyl 6-{5-[({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

8006-2598

Molecular Formula

C22H24N6O4S (C22 H24 N6 O4 S)

Compound Name

ethyl 6-{5-[({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

n/a

SMILES

CCOC(CCCCC(C(N1)=C(CSc2nnc(c(cccc3)c3n3C)c3n2)NC1=O)=O)=O

InChI

InChI=1S/C22H24N6O4S/c1-3-32-17(30)11-7-6-10-16(29)19-14(23-21(31)24-19)12-33-22-25-20-18(26-27-22)13-8-4-5-9-15(13)28(20)2/h4-5,8-9H,3,6-7,10-12H2,1-2H3,(H2,23,24,31)

InChI Key

XSQYNMHNBDIROT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00824378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.54

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

2.211

Distribution Coefficient, logD

-1.058

Water Solubility, LogSw

-2.78

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

8006-2598 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 8006-2598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2598?
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What is the minimum amount of 8006-2598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2598
  • 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 8006-2598 available by request