F312-0003 Screening compound: 6-fluoro-3-(pyrrolidine-1-sulfonyl)-2H-chromen-2-one

F312-0003 Screening compound: 6-fluoro-3-(pyrrolidine-1-sulfonyl)-2H-chromen-2-one
F312-0003 Screening compound: 6-fluoro-3-(pyrrolidine-1-sulfonyl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F312-0003
6-fluoro-3-(pyrrolidine-1-sulfonyl)-2H-chromen-2-one

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

F312-0003

Molecular Formula

C13H12FNO4S (C13 H12 FNO4 S)

Compound Name

6-fluoro-3-(pyrrolidine-1-sulfonyl)-2H-chromen-2-one

IUPAC name

6-fluoro-3-(pyrrolidine-1-sulfonyl)-2H-chromen-2-one

SMILES

O=C1Oc(ccc(F)c2)c2C=C1S(N1CCCC1)(=O)=O

InChI

InChI=1S/C13H12FNO4S/c14-10-3-4-11-9(7-10)8-12(13(16)19-11)20(17,18)15-5-1-2-6-15/h3-4,7-8H,1-2,5-6H2

InChI Key

XPGFCOQYFAVCFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11993722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.748

Distribution Coefficient, logD

1.748

Water Solubility, LogSw

-2.51

Polar Surface Area

53.237

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

F312-0003 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F312-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F312-0003?
Check Price and Availability of F312-0003, 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 F312-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F312-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F312-0003
  • 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 F312-0003 available by request