4413-0071 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(4-sulfamoylphenyl)acetamide

4413-0071 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(4-sulfamoylphenyl)acetamide
4413-0071 Screening compound: 2-(N-benzyl4-methoxybenzenesulfonamido)-N-(4-sulfamoylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4413-0071
2-(N-benzyl4-methoxybenzenesulfonamido)-N-(4-sulfamoylphenyl)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

4413-0071

Molecular Formula

C22H23N3O6S2 (C22 H23 N3 O6 S2)

Compound Name

2-(N-benzyl4-methoxybenzenesulfonamido)-N-(4-sulfamoylphenyl)acetamide

IUPAC name

2-(N-benzyl4-methoxybenzenesulfonamido)-N-(4-sulfamoylphenyl)acetamide

SMILES

COc(cc1)ccc1S(N(CC(Nc(cc1)ccc1S(N)(=O)=O)=O)Cc1ccccc1)(=O)=O

InChI

InChI=1S/C22H23N3O6S2/c1-31-19-9-13-21(14-10-19)33(29,30)25(15-17-5-3-2-4-6-17)16-22(26)24-18-7-11-20(12-8-18)32(23,27)28/h2-14H,15-16H2,1H3,(H,24,26)(H2,23,27,28)

InChI Key

DZOOOWSEOVQFPP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03139799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.493

Water Solubility, LogSw

-2.89

Polar Surface Area

112.639

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4413-0071 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4413-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4413-0071?
Check Price and Availability of 4413-0071, 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 4413-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4413-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4413-0071
  • 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 4413-0071 available by request