E513-0833 Screening compound: 8-(benzylsulfanyl)-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine

E513-0833 Screening compound: 8-(benzylsulfanyl)-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
E513-0833 Screening compound: 8-(benzylsulfanyl)-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-0833
8-(benzylsulfanyl)-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine

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

E513-0833

Molecular Formula

C16H13N3S2 (C16 H13 N3 S2)

Compound Name

8-(benzylsulfanyl)-5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine

IUPAC name

9-(benzylsulfanyl)-12-methyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

Cc(n1c2cc3c1ccs3)nnc2SCc1ccccc1

InChI

InChI=1S/C16H13N3S2/c1-11-17-18-16(21-10-12-5-3-2-4-6-12)14-9-15-13(19(11)14)7-8-20-15/h2-9H,10H2,1H3

InChI Key

JQCOXTCSBAHAAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.56

Polar Surface Area

22.114

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E513-0833 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E513-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0833?
Check Price and Availability of E513-0833, 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 E513-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0833
  • 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 E513-0833 available by request