5483-0038 Screening compound: ethyl 5-amino-3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate

5483-0038 Screening compound: ethyl 5-amino-3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate
5483-0038 Screening compound: ethyl 5-amino-3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5483-0038
ethyl 5-amino-3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate

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

5483-0038

Molecular Formula

C15H12FN3O3S (C15 H12 FN3 O3 S)

Compound Name

ethyl 5-amino-3-(4-fluorophenyl)-4-oxo-3H,4H-thieno[3,4-d]pyridazine-1-carboxylate

IUPAC name

ethyl 5-amino-3-(4-fluorophenyl)-4-oxo-3H4H-thieno[34-d]pyridazine-1-carboxylate

SMILES

CCOC(C(c1csc(N)c11)=NN(c(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C15H12FN3O3S/c1-2-22-15(21)12-10-7-23-13(17)11(10)14(20)19(18-12)9-5-3-8(16)4-6-9/h3-7H,2,17H2,1H3

InChI Key

ZKKSPFGRDYACDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03119615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.241

Distribution Coefficient, logD

2.241

Water Solubility, LogSw

-2.73

Polar Surface Area

68.078

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

5483-0038 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5483-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5483-0038?
Check Price and Availability of 5483-0038, 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 5483-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5483-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5483-0038
  • 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 5483-0038 available by request