C794-0409 Screening compound: 3-chlorobenzyl (5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) sulfide

C794-0409 Screening compound: 3-chlorobenzyl (5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) sulfide
C794-0409 Screening compound: 3-chlorobenzyl (5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-0409
3-chlorobenzyl (5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) 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

C794-0409

Molecular Formula

C17H14ClN3S2 (C17 H14 ClN3 S2)

Compound Name

3-chlorobenzyl (5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) sulfide

IUPAC name

n/a

SMILES

CCc(n1c2cc3c1ccs3)nnc2SCc1cccc(Cl)c1

InChI

InChI=1S/C17H14ClN3S2/c1-2-16-19-20-17(23-10-11-4-3-5-12(18)8-11)14-9-15-13(21(14)16)6-7-22-15/h3-9H,2,10H2,1H3

InChI Key

DCLKCDFCWYOWHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.9

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

4.998

Distribution Coefficient, logD

4.998

Water Solubility, LogSw

-5.03

Polar Surface Area

22.314

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

C794-0409 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C794-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-0409?
Check Price and Availability of C794-0409, 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 C794-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-0409
  • 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 C794-0409 available by request