8018-4554 Screening compound: 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide

8018-4554 Screening compound: 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide
8018-4554 Screening compound: 2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4554
2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide

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

8018-4554

Molecular Formula

C23H28Cl2N2O3S (C23 H28 Cl2 N2 O3 S)

Compound Name

2,4-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide

IUPAC name

24-dichloro-N-(2-cyclohexyl-2-phenylethyl)-5-(dimethylsulfamoyl)benzamide

SMILES

CN(C)S(c(cc(C(NCC(C1CCCCC1)c1ccccc1)=O)c(Cl)c1)c1Cl)(=O)=O

InChI

InChI=1S/C23H28Cl2N2O3S/c1-27(2)31(29,30)22-13-18(20(24)14-21(22)25)23(28)26-15-19(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3,5-6,9-10,13-14,17,19H,4,7-8,11-12,15H2,1-2H3,(H,26,28)/t19-/m1/s1

InChI Key

LQWOGZBFRJRFCQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07658906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.610

Distribution Coefficient, logD

5.607

Water Solubility, LogSw

-5.97

Polar Surface Area

58.236

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

8018-4554 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8018-4554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4554?
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What is the minimum amount of 8018-4554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4554
  • 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 8018-4554 available by request