E580-0708 Screening compound: 3-(3-methoxyphenyl)-2-{[(pyridin-2-yl)methyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

E580-0708 Screening compound: 3-(3-methoxyphenyl)-2-{[(pyridin-2-yl)methyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
E580-0708 Screening compound: 3-(3-methoxyphenyl)-2-{[(pyridin-2-yl)methyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E580-0708
3-(3-methoxyphenyl)-2-{[(pyridin-2-yl)methyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-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

E580-0708

Molecular Formula

C19H17N3O2S2 (C19 H17 N3 O2 S2)

Compound Name

3-(3-methoxyphenyl)-2-{[(pyridin-2-yl)methyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-(3-methoxyphenyl)-2-{[(pyridin-2-yl)methyl]sulfanyl}-3H4H6H7H-thieno[32-d]pyrimidin-4-one

SMILES

COc1cccc(N(C2=O)C(SCc3ncccc3)=NC3=C2SCC3)c1

InChI

InChI=1S/C19H17N3O2S2/c1-24-15-7-4-6-14(11-15)22-18(23)17-16(8-10-25-17)21-19(22)26-12-13-5-2-3-9-20-13/h2-7,9,11H,8,10,12H2,1H3

InChI Key

MLKWBTWGOORKFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05964213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.731

Water Solubility, LogSw

-3.06

Polar Surface Area

42.583

Acid Dissociation Constant (pKa)

27.57

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

E580-0708 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Agro:
  • Agro
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E580-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0708?
Check Price and Availability of E580-0708, 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 E580-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0708
  • 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 E580-0708 available by request