E596-0074 Screening compound: 4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[3-(methylsulfanyl)phenyl]butanamide

E596-0074 Screening compound: 4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[3-(methylsulfanyl)phenyl]butanamide
E596-0074 Screening compound: 4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[3-(methylsulfanyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E596-0074
4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[3-(methylsulfanyl)phenyl]butanamide

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

E596-0074

Molecular Formula

C19H19N5O2S2 (C19 H19 N5 O2 S2)

Compound Name

4-(4-methyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)-N~1~-[3-(methylsulfanyl)phenyl]butanamide

IUPAC name

4-{8-methyl-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl}-N-[3-(methylsulfanyl)phenyl]butanamide

SMILES

CN(c1nnc(CCCC(Nc2cc(SC)ccc2)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C19H19N5O2S2/c1-23-18(26)17-14(9-10-28-17)24-15(21-22-19(23)24)7-4-8-16(25)20-12-5-3-6-13(11-12)27-2/h3,5-6,9-11H,4,7-8H2,1-2H3,(H,20,25)

InChI Key

JXYKGQOLPDLPMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743801

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.201

Distribution Coefficient, logD

2.201

Water Solubility, LogSw

-3.01

Polar Surface Area

63.911

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E596-0074 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E596-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E596-0074?
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What is the minimum amount of E596-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E596-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E596-0074
  • 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 E596-0074 available by request