4802-0116 Screening compound: 1-(4-fluorophenyl)-3-(pyridin-2-ylsulfanyl)pyrrolidine-2,5-dione

4802-0116 Screening compound: 1-(4-fluorophenyl)-3-(pyridin-2-ylsulfanyl)pyrrolidine-2,5-dione
4802-0116 Screening compound: 1-(4-fluorophenyl)-3-(pyridin-2-ylsulfanyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0116
1-(4-fluorophenyl)-3-(pyridin-2-ylsulfanyl)pyrrolidine-2,5-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

4802-0116

Molecular Formula

C15H11FN2O2S (C15 H11 FN2 O2 S)

Compound Name

1-(4-fluorophenyl)-3-(pyridin-2-ylsulfanyl)pyrrolidine-2,5-dione

IUPAC name

1-(4-fluorophenyl)-3-(pyridin-2-ylsulfanyl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)Sc2ncccc2)N1c(cc1)ccc1F

InChI

InChI=1S/C15H11FN2O2S/c16-10-4-6-11(7-5-10)18-14(19)9-12(15(18)20)21-13-3-1-2-8-17-13/h1-8,12H,9H2/t12-/m0/s1

InChI Key

HGLJFHIZYFFNEK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03146233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.748

Distribution Coefficient, logD

1.748

Water Solubility, LogSw

-2.21

Polar Surface Area

37.566

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 4802-0116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0116?
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What is the minimum amount of 4802-0116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0116
  • 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 4802-0116 available by request