E596-0442 Screening compound: 4-ethyl-1-{4-[4-(2-furylcarbonyl)piperazino]-4-oxobutyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

E596-0442 Screening compound: 4-ethyl-1-{4-[4-(2-furylcarbonyl)piperazino]-4-oxobutyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
E596-0442 Screening compound: 4-ethyl-1-{4-[4-(2-furylcarbonyl)piperazino]-4-oxobutyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E596-0442
4-ethyl-1-{4-[4-(2-furylcarbonyl)piperazino]-4-oxobutyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

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

E596-0442

Molecular Formula

C22H24N6O4S (C22 H24 N6 O4 S)

Compound Name

4-ethyl-1-{4-[4-(2-furylcarbonyl)piperazino]-4-oxobutyl}thieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one

IUPAC name

8-ethyl-12-{4-[4-(furan-2-carbonyl)piperazin-1-yl]-4-oxobutyl}-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-7-one

SMILES

CCN(c1nnc(CCCC(N(CC2)CCN2C(c2ccco2)=O)=O)n1-c1c2scc1)C2=O

InChI

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

InChI Key

RWSOEBFHZLTHKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.892

Distribution Coefficient, logD

0.892

Water Solubility, LogSw

-1.69

Polar Surface Area

82.148

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

E596-0442 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E596-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E596-0442?
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What is the minimum amount of E596-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E596-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E596-0442
  • 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 E596-0442 available by request