7680-2228 Screening compound: 2-[(dimethylsulfamoyl)(phenyl)amino]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

7680-2228 Screening compound: 2-[(dimethylsulfamoyl)(phenyl)amino]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide
7680-2228 Screening compound: 2-[(dimethylsulfamoyl)(phenyl)amino]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7680-2228
2-[(dimethylsulfamoyl)(phenyl)amino]-N-[4-(pyrrolidine-1-sulfonyl)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

7680-2228

Molecular Formula

C20H26N4O5S2 (C20 H26 N4 O5 S2)

Compound Name

2-[(dimethylsulfamoyl)(phenyl)amino]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

IUPAC name

2-[(dimethylsulfamoyl)(phenyl)amino]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

SMILES

CN(C)S(N(CC(Nc(cc1)ccc1S(N1CCCC1)(=O)=O)=O)c1ccccc1)(=O)=O

InChI

InChI=1S/C20H26N4O5S2/c1-22(2)31(28,29)24(18-8-4-3-5-9-18)16-20(25)21-17-10-12-19(13-11-17)30(26,27)23-14-6-7-15-23/h3-5,8-13H,6-7,14-16H2,1-2H3,(H,21,25)

InChI Key

IYOTWVBNZVDGPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07359387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.006

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-2.72

Polar Surface Area

91.377

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

7680-2228 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Dark Chemical Matter Library (18430 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

References: we are preparing a list of scientific research reports with 7680-2228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7680-2228?
Check Price and Availability of 7680-2228, 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 7680-2228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7680-2228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7680-2228
  • 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 7680-2228 available by request