M648-0521 Screening compound: 1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)pyrrolidine

M648-0521 Screening compound: 1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)pyrrolidine
M648-0521 Screening compound: 1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound M648-0521
1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)pyrrolidine

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

M648-0521

Molecular Formula

C14H14FNO2S (C14 H14 FNO2 S)

Compound Name

1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)pyrrolidine

IUPAC name

1-(4-fluoro-3-methoxy-1-benzothiophene-2-carbonyl)pyrrolidine

SMILES

COc1c(C(N2CCCC2)=O)sc2c1c(F)ccc2

InChI

InChI=1S/C14H14FNO2S/c1-18-12-11-9(15)5-4-6-10(11)19-13(12)14(17)16-7-2-3-8-16/h4-6H,2-3,7-8H2,1H3

InChI Key

VJNJUMPNWIFPEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27549827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.295

Distribution Coefficient, logD

3.295

Water Solubility, LogSw

-3.67

Polar Surface Area

25.717

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

M648-0521 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

SmartTM Library (51161 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with M648-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M648-0521?
Check Price and Availability of M648-0521, 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 M648-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M648-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M648-0521
  • 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 M648-0521 available by request