E513-1103 Screening compound: 5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl (2-fluorobenzyl) sulfide

E513-1103 Screening compound: 5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl (2-fluorobenzyl) sulfide
E513-1103 Screening compound: 5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl (2-fluorobenzyl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-1103
5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl (2-fluorobenzyl) sulfide

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

E513-1103

Molecular Formula

C18H16FN3S2 (C18 H16 FN3 S2)

Compound Name

5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl (2-fluorobenzyl) sulfide

IUPAC name

12-ethyl-9-{[(2-fluorophenyl)methyl]sulfanyl}-4-methyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

CCc(n1c2cc3c1cc(C)s3)nnc2SCc(cccc1)c1F

InChI

InChI=1S/C18H16FN3S2/c1-3-17-20-21-18(23-10-12-6-4-5-7-13(12)19)15-9-16-14(22(15)17)8-11(2)24-16/h4-9H,3,10H2,1-2H3

InChI Key

QGZBVQZPPNEBQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.220

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.18

Polar Surface Area

22.314

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E513-1103 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E513-1103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-1103?
Check Price and Availability of E513-1103, 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 E513-1103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-1103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-1103
  • 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 E513-1103 available by request