7582-3113 Screening compound: [(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)(phenyl)sulfamoyl]dimethylamine

7582-3113 Screening compound: [(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)(phenyl)sulfamoyl]dimethylamine
7582-3113 Screening compound: [(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)(phenyl)sulfamoyl]dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7582-3113
[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)(phenyl)sulfamoyl]dimethylamine

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

7582-3113

Molecular Formula

C22H28N4O5S (C22 H28 N4 O5 S)

Compound Name

[(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)(phenyl)sulfamoyl]dimethylamine

IUPAC name

[(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)(phenyl)sulfamoyl]dimethylamine

SMILES

CN(C)S(N(CC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)c1ccccc1)(=O)=O

InChI

InChI=1S/C22H28N4O5S/c1-23(2)32(28,29)26(19-6-4-3-5-7-19)16-22(27)25-12-10-24(11-13-25)15-18-8-9-20-21(14-18)31-17-30-20/h3-9,14H,10-13,15-17H2,1-2H3

InChI Key

MXHXUACPQUWNOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07357995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.377

Distribution Coefficient, logD

1.185

Water Solubility, LogSw

-2.43

Polar Surface Area

73.199

Acid Dissociation Constant (pKa)

20.99

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

7582-3113 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 7582-3113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7582-3113?
Check Price and Availability of 7582-3113, 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 7582-3113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7582-3113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7582-3113
  • 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 7582-3113 available by request