D103-2286 Screening compound: 4-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-4H-chromene-2-carboxamide

D103-2286 Screening compound: 4-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-4H-chromene-2-carboxamide
D103-2286 Screening compound: 4-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-2286
4-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-4H-chromene-2-carboxamide

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

D103-2286

Molecular Formula

C20H14N4O5S (C20 H14 N4 O5 S)

Compound Name

4-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-4H-chromene-2-carboxamide

IUPAC name

4-oxo-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}-4H-chromene-2-carboxamide

SMILES

O=C(C(Oc1c2cccc1)=CC2=O)Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O

InChI

InChI=1S/C20H14N4O5S/c25-16-12-18(29-17-5-2-1-4-15(16)17)19(26)23-13-6-8-14(9-7-13)30(27,28)24-20-21-10-3-11-22-20/h1-12H,(H,23,26)(H,21,22,24)

InChI Key

KRELCLYUIDSVBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.795

Distribution Coefficient, logD

1.039

Water Solubility, LogSw

-2.94

Polar Surface Area

106.367

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-1.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D103-2286 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 D103-2286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-2286?
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What is the minimum amount of D103-2286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-2286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-2286
  • 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 D103-2286 available by request