2798-2234 Screening compound: 2-(4-bromo-2-tert-butylphenoxy)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide

2798-2234 Screening compound: 2-(4-bromo-2-tert-butylphenoxy)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide
2798-2234 Screening compound: 2-(4-bromo-2-tert-butylphenoxy)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2798-2234
2-(4-bromo-2-tert-butylphenoxy)-N-{4-[(1,3-thiazol-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

2798-2234

Molecular Formula

C21H22BrN3O4S2 (C21 H22 BrN3 O4 S2)

Compound Name

2-(4-bromo-2-tert-butylphenoxy)-N-{4-[(1,3-thiazol-2-yl)sulfamoyl]phenyl}acetamide

IUPAC name

2-(4-bromo-2-tert-butylphenoxy)-N-{4-[(13-thiazol-2-yl)sulfamoyl]phenyl}acetamide

SMILES

CC(C)(C)c(cc(cc1)Br)c1OCC(Nc(cc1)ccc1S(Nc1nccs1)(=O)=O)=O

InChI

InChI=1S/C21H22BrN3O4S2/c1-21(2,3)17-12-14(22)4-9-18(17)29-13-19(26)24-15-5-7-16(8-6-15)31(27,28)25-20-23-10-11-30-20/h4-12H,13H2,1-3H3,(H,23,25)(H,24,26)

InChI Key

ANKSNHUWHVWYCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.978

Distribution Coefficient, logD

4.568

Water Solubility, LogSw

-4.71

Polar Surface Area

81.830

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

2798-2234 in Drug Discovery

Included in Screening Libraries

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

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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 2798-2234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2798-2234?
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What is the minimum amount of 2798-2234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2798-2234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2798-2234
  • 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 2798-2234 available by request