6649-0779 Screening compound: 2-(4-bromo-2,6-dimethylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide

6649-0779 Screening compound: 2-(4-bromo-2,6-dimethylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide
6649-0779 Screening compound: 2-(4-bromo-2,6-dimethylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6649-0779
2-(4-bromo-2,6-dimethylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide

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

6649-0779

Molecular Formula

C20H19BrN4O4S (C20 H19 BrN4 O4 S)

Compound Name

2-(4-bromo-2,6-dimethylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide

IUPAC name

2-(4-bromo-26-dimethylphenoxy)-N-{4-[(pyrimidin-2-yl)sulfamoyl]phenyl}acetamide

SMILES

Cc1cc(Br)cc(C)c1OCC(Nc(cc1)ccc1S(Nc1ncccn1)(=O)=O)=O

InChI

InChI=1S/C20H19BrN4O4S/c1-13-10-15(21)11-14(2)19(13)29-12-18(26)24-16-4-6-17(7-5-16)30(27,28)25-20-22-8-3-9-23-20/h3-11H,12H2,1-2H3,(H,24,26)(H,22,23,25)

InChI Key

HCBHPBMOOSVXMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03537361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.789

Distribution Coefficient, logD

3.034

Water Solubility, LogSw

-3.98

Polar Surface Area

92.008

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

6649-0779 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 6649-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6649-0779?
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What is the minimum amount of 6649-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6649-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6649-0779
  • 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 6649-0779 available by request