8017-2632 Screening compound: 2,5-dimethoxy-N~1~-(2-oxo-1,2-dihydro-3-pyridinyl)-1-benzenesulfonamide

8017-2632 Screening compound: 2,5-dimethoxy-N~1~-(2-oxo-1,2-dihydro-3-pyridinyl)-1-benzenesulfonamide
8017-2632 Screening compound: 2,5-dimethoxy-N~1~-(2-oxo-1,2-dihydro-3-pyridinyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2632
2,5-dimethoxy-N~1~-(2-oxo-1,2-dihydro-3-pyridinyl)-1-benzenesulfonamide

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

8017-2632

Molecular Formula

C13H14N2O5S (C13 H14 N2 O5 S)

Compound Name

2,5-dimethoxy-N~1~-(2-oxo-1,2-dihydro-3-pyridinyl)-1-benzenesulfonamide

IUPAC name

25-dimethoxy-N-(2-oxo-12-dihydropyridin-3-yl)benzene-1-sulfonamide

SMILES

COc(cc1)cc(S(NC2=CC=CNC2=O)(=O)=O)c1OC

InChI

InChI=1S/C13H14N2O5S/c1-19-9-5-6-11(20-2)12(8-9)21(17,18)15-10-4-3-7-14-13(10)16/h3-8,15H,1-2H3,(H,14,16)

InChI Key

PCABLONZALGXGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.245

Distribution Coefficient, logD

-3.469

Water Solubility, LogSw

-2.17

Polar Surface Area

81.954

Acid Dissociation Constant (pKa)

3.69

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

8017-2632 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8017-2632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2632?
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What is the minimum amount of 8017-2632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2632
  • 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 8017-2632 available by request