C799-0196 Screening compound: ethyl 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoate

C799-0196 Screening compound: ethyl 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoate
C799-0196 Screening compound: ethyl 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C799-0196
ethyl 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoate

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

C799-0196

Molecular Formula

C17H18N2O3S (C17 H18 N2 O3 S)

Compound Name

ethyl 2-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]butanoate

IUPAC name

ethyl 2-{6-methyl-3-oxo-8-thia-45-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)5911-pentaen-4-yl}butanoate

SMILES

CCC(C(OCC)=O)N1N=C(C)c(sc2c3cccc2)c3C1=O

InChI

InChI=1S/C17H18N2O3S/c1-4-12(17(21)22-5-2)19-16(20)14-11-8-6-7-9-13(11)23-15(14)10(3)18-19/h6-9,12H,4-5H2,1-3H3/t12-/m0/s1

InChI Key

UOEHCWVNUGDUIW-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14280665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.122

Distribution Coefficient, logD

4.122

Water Solubility, LogSw

-4.26

Polar Surface Area

46.530

Acid Dissociation Constant (pKa)

15.78

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.29

C799-0196 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 C799-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C799-0196?
Check Price and Availability of C799-0196, 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 C799-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C799-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C799-0196
  • 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 C799-0196 available by request