E596-0282 Screening compound: N~1~-(4-methoxybenzyl)-4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide

E596-0282 Screening compound: N~1~-(4-methoxybenzyl)-4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide
E596-0282 Screening compound: N~1~-(4-methoxybenzyl)-4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E596-0282
N~1~-(4-methoxybenzyl)-4-[4-(3-methoxypropyl)-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]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

E596-0282

Molecular Formula

C23H27N5O4S (C23 H27 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COCCCN(c1nnc(CCCC(NCc(cc2)ccc2OC)=O)n1-c1c2scc1)C2=O

InChI

InChI=1S/C23H27N5O4S/c1-31-13-4-12-27-22(30)21-18(11-14-33-21)28-19(25-26-23(27)28)5-3-6-20(29)24-15-16-7-9-17(32-2)10-8-16/h7-11,14H,3-6,12-13,15H2,1-2H3,(H,24,29)

InChI Key

SJPVSMAXGXPUIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14902164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.855

Distribution Coefficient, logD

1.855

Water Solubility, LogSw

-2.38

Polar Surface Area

81.332

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

E596-0282 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E596-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E596-0282?
Check Price and Availability of E596-0282, 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 E596-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E596-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E596-0282
  • 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 E596-0282 available by request