4973-0084 Screening compound: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide

4973-0084 Screening compound: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide
4973-0084 Screening compound: N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4973-0084
N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-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

4973-0084

Molecular Formula

C21H18N4O4S (C21 H18 N4 O4 S)

Compound Name

N-{4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide

IUPAC name

N-{4-[(26-dimethylpyrimidin-4-yl)sulfamoyl]phenyl}-1-benzofuran-2-carboxamide

SMILES

Cc1cc(NS(c(cc2)ccc2NC(c2cc(cccc3)c3o2)=O)(=O)=O)nc(C)n1

InChI

InChI=1S/C21H18N4O4S/c1-13-11-20(23-14(2)22-13)25-30(27,28)17-9-7-16(8-10-17)24-21(26)19-12-15-5-3-4-6-18(15)29-19/h3-12H,1-2H3,(H,24,26)(H,22,23,25)

InChI Key

NCDYDFMITDCUDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02348374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.262

Distribution Coefficient, logD

2.392

Water Solubility, LogSw

-3.63

Polar Surface Area

90.830

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4973-0084 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 4973-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4973-0084?
Check Price and Availability of 4973-0084, 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 4973-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4973-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4973-0084
  • 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 4973-0084 available by request