4802-0115 Screening compound: 1-(3-methoxyphenyl)-3-(2-pyridylsulfanyl)dihydro-1H-pyrrole-2,5-dione

4802-0115 Screening compound: 1-(3-methoxyphenyl)-3-(2-pyridylsulfanyl)dihydro-1H-pyrrole-2,5-dione
4802-0115 Screening compound: 1-(3-methoxyphenyl)-3-(2-pyridylsulfanyl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4802-0115
1-(3-methoxyphenyl)-3-(2-pyridylsulfanyl)dihydro-1H-pyrrole-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

4802-0115

Molecular Formula

C16H14N2O3S (C16 H14 N2 O3 S)

Compound Name

1-(3-methoxyphenyl)-3-(2-pyridylsulfanyl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(3-methoxyphenyl)-3-(pyridin-2-ylsulfanyl)pyrrolidine-25-dione

SMILES

COc1cccc(N(C(CC2Sc3ncccc3)=O)C2=O)c1

InChI

InChI=1S/C16H14N2O3S/c1-21-12-6-4-5-11(9-12)18-15(19)10-13(16(18)20)22-14-7-2-3-8-17-14/h2-9,13H,10H2,1H3/t13-/m0/s1

InChI Key

NECVQAJOWJVOLO-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03145819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.883

Distribution Coefficient, logD

1.883

Water Solubility, LogSw

-2.46

Polar Surface Area

45.110

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with 4802-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4802-0115?
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What is the minimum amount of 4802-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4802-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4802-0115
  • 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 4802-0115 available by request