E596-0329 Screening compound: ethyl 1-{4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanoyl}-4-piperidinecarboxylate

E596-0329 Screening compound: ethyl 1-{4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanoyl}-4-piperidinecarboxylate
E596-0329 Screening compound: ethyl 1-{4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanoyl}-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E596-0329
ethyl 1-{4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanoyl}-4-piperidinecarboxylate

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

E596-0329

Molecular Formula

C23H31N5O5S (C23 H31 N5 O5 S)

Compound Name

ethyl 1-{4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanoyl}-4-piperidinecarboxylate

IUPAC name

ethyl 1-{4-[8-(3-methoxypropyl)-7-oxo-5-thia-181011-tetraazatricyclo[7.3.0.0^{26}]dodeca-2(6)3911-tetraen-12-yl]butanoyl}piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CCCc(n1-c2c3scc2)nnc1N(CCCOC)C3=O)=O)=O

InChI

InChI=1S/C23H31N5O5S/c1-3-33-22(31)16-8-12-26(13-9-16)19(29)7-4-6-18-24-25-23-27(11-5-14-32-2)21(30)20-17(28(18)23)10-15-34-20/h10,15-16H,3-9,11-14H2,1-2H3

InChI Key

KRJVUZSWVUMRHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.491

Distribution Coefficient, logD

1.491

Water Solubility, LogSw

-2.21

Polar Surface Area

86.463

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

E596-0329 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E596-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E596-0329?
Check Price and Availability of E596-0329, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E596-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E596-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E596-0329
  • 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 E596-0329 available by request