4491-1893 Screening compound: N-(4-sulfamoylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide

4491-1893 Screening compound: N-(4-sulfamoylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide
4491-1893 Screening compound: N-(4-sulfamoylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4491-1893
N-(4-sulfamoylphenyl)-2-(2,3,6-trimethylphenoxy)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

4491-1893

Molecular Formula

C17H20N2O4S (C17 H20 N2 O4 S)

Compound Name

N-(4-sulfamoylphenyl)-2-(2,3,6-trimethylphenoxy)acetamide

IUPAC name

N-(4-sulfamoylphenyl)-2-(236-trimethylphenoxy)acetamide

SMILES

Cc1ccc(C)c(OCC(Nc(cc2)ccc2S(N)(=O)=O)=O)c1C

InChI

InChI=1S/C17H20N2O4S/c1-11-4-5-12(2)17(13(11)3)23-10-16(20)19-14-6-8-15(9-7-14)24(18,21)22/h4-9H,10H2,1-3H3,(H,19,20)(H2,18,21,22)

InChI Key

HPRVBEBUSAAVDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02960158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.924

Distribution Coefficient, logD

2.923

Water Solubility, LogSw

-3.39

Polar Surface Area

81.392

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

4491-1893 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4491-1893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4491-1893?
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What is the minimum amount of 4491-1893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4491-1893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4491-1893
  • 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 4491-1893 available by request