E580-0019 Screening compound: 3-benzyl-2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

E580-0019 Screening compound: 3-benzyl-2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
E580-0019 Screening compound: 3-benzyl-2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E580-0019
3-benzyl-2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]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

E580-0019

Molecular Formula

C23H21N3O2S2 (C23 H21 N3 O2 S2)

Compound Name

3-benzyl-2-{[2-(2,3-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

3-benzyl-2-{[2-(23-dihydro-1H-indol-1-yl)-2-oxoethyl]sulfanyl}-3H4H6H7H-thieno[32-d]pyrimidin-4-one

SMILES

O=C(CSC(N(Cc1ccccc1)C1=O)=NC2=C1SCC2)N(CC1)c2c1cccc2

InChI

InChI=1S/C23H21N3O2S2/c27-20(25-12-10-17-8-4-5-9-19(17)25)15-30-23-24-18-11-13-29-21(18)22(28)26(23)14-16-6-2-1-3-7-16/h1-9H,10-15H2

InChI Key

DKFOXWRFXUZXHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05963594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-3.60

Polar Surface Area

41.531

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E580-0019 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E580-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E580-0019?
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What is the minimum amount of E580-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E580-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E580-0019
  • 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 E580-0019 available by request