C382-0217 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-4-[(4-methylbenzenesulfonamido)methyl]benzamide

C382-0217 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-4-[(4-methylbenzenesulfonamido)methyl]benzamide
C382-0217 Screening compound: N-[1-(4-butoxyphenyl)ethyl]-4-[(4-methylbenzenesulfonamido)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C382-0217
N-[1-(4-butoxyphenyl)ethyl]-4-[(4-methylbenzenesulfonamido)methyl]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

C382-0217

Molecular Formula

C27H32N2O4S (C27 H32 N2 O4 S)

Compound Name

N-[1-(4-butoxyphenyl)ethyl]-4-[(4-methylbenzenesulfonamido)methyl]benzamide

IUPAC name

N-[1-(4-butoxyphenyl)ethyl]-4-[(4-methylbenzenesulfonamido)methyl]benzamide

SMILES

CCCCOc1ccc(C(C)NC(c2ccc(CNS(c3ccc(C)cc3)(=O)=O)cc2)=O)cc1

InChI

InChI=1S/C27H32N2O4S/c1-4-5-18-33-25-14-12-23(13-15-25)21(3)29-27(30)24-10-8-22(9-11-24)19-28-34(31,32)26-16-6-20(2)7-17-26/h6-17,21,28H,4-5,18-19H2,1-3H3,(H,29,30)/t21-/m0/s1

InChI Key

NDHPNBQALHZIPM-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14754917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.502

Distribution Coefficient, logD

5.502

Water Solubility, LogSw

-5.35

Polar Surface Area

72.991

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

C382-0217 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Glucocorticoid receptors Library (4806 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Nuclear receptors
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C382-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C382-0217?
Check Price and Availability of C382-0217, 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 C382-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C382-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C382-0217
  • 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 C382-0217 available by request