7684-2610 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide

7684-2610 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide
7684-2610 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7684-2610
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(dimethylsulfamoyl)(phenyl)amino]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

7684-2610

Molecular Formula

C18H21N3O5S (C18 H21 N3 O5 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[(dimethylsulfamoyl)(phenyl)amino]acetamide

SMILES

CN(C)S(N(CC(NCc(cc1)cc2c1OCO2)=O)c1ccccc1)(=O)=O

InChI

InChI=1S/C18H21N3O5S/c1-20(2)27(23,24)21(15-6-4-3-5-7-15)12-18(22)19-11-14-8-9-16-17(10-14)26-13-25-16/h3-10H,11-13H2,1-2H3,(H,19,22)

InChI Key

ITQHNEQJAPMMIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05835458

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.731

Distribution Coefficient, logD

1.731

Water Solubility, LogSw

-2.72

Polar Surface Area

77.738

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

7684-2610 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 7684-2610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7684-2610?
Check Price and Availability of 7684-2610, 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 7684-2610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7684-2610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7684-2610
  • 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 7684-2610 available by request