4462-7469 Screening compound: N-(3-sulfamoylphenyl)-2-(3-{[(3-sulfamoylphenyl)carbamoyl]methyl}adamantan-1-yl)acetamide

4462-7469 Screening compound: N-(3-sulfamoylphenyl)-2-(3-{[(3-sulfamoylphenyl)carbamoyl]methyl}adamantan-1-yl)acetamide
4462-7469 Screening compound: N-(3-sulfamoylphenyl)-2-(3-{[(3-sulfamoylphenyl)carbamoyl]methyl}adamantan-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4462-7469
N-(3-sulfamoylphenyl)-2-(3-{[(3-sulfamoylphenyl)carbamoyl]methyl}adamantan-1-yl)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

4462-7469

Molecular Formula

C26H32N4O6S2 (C26 H32 N4 O6 S2)

Compound Name

N-(3-sulfamoylphenyl)-2-(3-{[(3-sulfamoylphenyl)carbamoyl]methyl}adamantan-1-yl)acetamide

IUPAC name

N-(3-sulfamoylphenyl)-2-(3-{[(3-sulfamoylphenyl)carbamoyl]methyl}adamantan-1-yl)acetamide

SMILES

NS(c1cccc(NC(CC2(CC(C3)C4)CC4(CC(Nc4cccc(S(N)(=O)=O)c4)=O)CC3C2)=O)c1)(=O)=O

InChI

InChI=1S/C26H32N4O6S2/c27-37(33,34)21-5-1-3-19(8-21)29-23(31)14-25-10-17-7-18(11-25)13-26(12-17,16-25)15-24(32)30-20-4-2-6-22(9-20)38(28,35)36/h1-6,8-9,17-18H,7,10-16H2,(H,29,31)(H,30,32)(H2,27,33,34)(H2,28,35,36)

InChI Key

WBISELYOSLQSCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02707414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.7

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.680

Distribution Coefficient, logD

2.679

Water Solubility, LogSw

-3.34

Polar Surface Area

147.234

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4462-7469 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4462-7469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4462-7469?
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What is the minimum amount of 4462-7469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4462-7469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4462-7469
  • 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 4462-7469 available by request