6048-0521 Screening compound: 4-(4-chloro-2-methylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}butanamide

6048-0521 Screening compound: 4-(4-chloro-2-methylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}butanamide
6048-0521 Screening compound: 4-(4-chloro-2-methylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0521
4-(4-chloro-2-methylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}butanamide

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

6048-0521

Molecular Formula

C21H21ClN4O4S (C21 H21 ClN4 O4 S)

Compound Name

4-(4-chloro-2-methylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}butanamide

IUPAC name

4-(4-chloro-2-methylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}butanamide

SMILES

Cc(cc(cc1)Cl)c1OCCCC(Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)=O

InChI

InChI=1S/C21H21ClN4O4S/c1-15-14-16(22)5-10-19(15)30-13-2-4-20(27)25-17-6-8-18(9-7-17)31(28,29)26-21-23-11-3-12-24-21/h3,5-12,14H,2,4,13H2,1H3,(H,25,27)(H,23,24,26)

InChI Key

WKMFKCOSJFMGJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03390376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

2.680

Water Solubility, LogSw

-3.74

Polar Surface Area

91.840

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

6048-0521 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
  • Pool
Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6048-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0521?
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What is the minimum amount of 6048-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0521
  • 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 6048-0521 available by request