C131-0071 Screening compound: 5-fluoro-2-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

C131-0071 Screening compound: 5-fluoro-2-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione
C131-0071 Screening compound: 5-fluoro-2-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C131-0071
5-fluoro-2-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

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

C131-0071

Molecular Formula

C15H10FNO3 (C15 H10 FNO3)

Compound Name

5-fluoro-2-(3-methoxyphenyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-fluoro-2-(3-methoxyphenyl)-23-dihydro-1H-isoindole-13-dione

SMILES

COc1cccc(N(C(c(cc2)c3cc2F)=O)C3=O)c1

InChI

InChI=1S/C15H10FNO3/c1-20-11-4-2-3-10(8-11)17-14(18)12-6-5-9(16)7-13(12)15(17)19/h2-8H,1H3

InChI Key

XWQIOWSTCKTCDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01347973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.157

Distribution Coefficient, logD

3.157

Water Solubility, LogSw

-3.36

Polar Surface Area

36.424

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-6.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

C131-0071 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C131-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C131-0071?
Check Price and Availability of C131-0071, 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 C131-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C131-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C131-0071
  • 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 C131-0071 available by request