7582-1801 Screening compound: 2-[(dimethylsulfamoyl)(phenyl)amino]-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide

7582-1801 Screening compound: 2-[(dimethylsulfamoyl)(phenyl)amino]-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide
7582-1801 Screening compound: 2-[(dimethylsulfamoyl)(phenyl)amino]-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7582-1801
2-[(dimethylsulfamoyl)(phenyl)amino]-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)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

7582-1801

Molecular Formula

C20H27N3O3S2 (C20 H27 N3 O3 S2)

Compound Name

2-[(dimethylsulfamoyl)(phenyl)amino]-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide

IUPAC name

2-[(dimethylsulfamoyl)(phenyl)amino]-N-(2-{[(3-methylphenyl)methyl]sulfanyl}ethyl)acetamide

SMILES

Cc1cccc(CSCCNC(CN(c2ccccc2)S(N(C)C)(=O)=O)=O)c1

InChI

InChI=1S/C20H27N3O3S2/c1-17-8-7-9-18(14-17)16-27-13-12-21-20(24)15-23(28(25,26)22(2)3)19-10-5-4-6-11-19/h4-11,14H,12-13,15-16H2,1-3H3,(H,21,24)

InChI Key

MPZZGVHCBKJSPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09440674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.041

Distribution Coefficient, logD

3.041

Water Solubility, LogSw

-3.43

Polar Surface Area

60.464

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

7582-1801 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7582-1801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7582-1801?
Check Price and Availability of 7582-1801, 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 7582-1801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7582-1801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7582-1801
  • 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 7582-1801 available by request