E019-0923 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]butanamide

E019-0923 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]butanamide
E019-0923 Screening compound: 4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E019-0923
4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]butanamide

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

E019-0923

Molecular Formula

C22H18F3N3O2S (C22 H18 F3 N3 O2 S)

Compound Name

4-[4-methyl-1-oxo[1]benzothieno[2,3-d]pyridazin-2(1H)-yl]-N~1~-[2-(trifluoromethyl)phenyl]butanamide

IUPAC name

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

SMILES

CC(c1c2c(cccc3)c3s1)=NN(CCCC(Nc1c(C(F)(F)F)cccc1)=O)C2=O

InChI

InChI=1S/C22H18F3N3O2S/c1-13-20-19(14-7-2-5-10-17(14)31-20)21(30)28(27-13)12-6-11-18(29)26-16-9-4-3-8-15(16)22(23,24)25/h2-5,7-10H,6,11-12H2,1H3,(H,26,29)

InChI Key

HGIQFZKIOZMFMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14839866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.28

Polar Surface Area

49.817

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E019-0923 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E019-0923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E019-0923?
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What is the minimum amount of E019-0923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E019-0923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E019-0923
  • 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 E019-0923 available by request