1550-0393 Screening compound: ethyl 2-(3-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1550-0393 Screening compound: ethyl 2-(3-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1550-0393 Screening compound: ethyl 2-(3-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1550-0393
ethyl 2-(3-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-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

1550-0393

Molecular Formula

C18H18FNO3S (C18 H18 FNO3 S)

Compound Name

ethyl 2-(3-fluorobenzamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(3-fluorobenzamido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cc(F)ccc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C18H18FNO3S/c1-2-23-18(22)15-13-8-3-4-9-14(13)24-17(15)20-16(21)11-6-5-7-12(19)10-11/h5-7,10H,2-4,8-9H2,1H3,(H,20,21)

InChI Key

UMJQNECHFKBYIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00390068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

-0.271

Water Solubility, LogSw

-4.40

Polar Surface Area

43.798

Acid Dissociation Constant (pKa)

2.87

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

1550-0393 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 1550-0393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1550-0393?
Check Price and Availability of 1550-0393, 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 1550-0393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1550-0393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1550-0393
  • 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 1550-0393 available by request