C155-0079 Screening compound: 2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

C155-0079 Screening compound: 2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide
C155-0079 Screening compound: 2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0079
2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

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

C155-0079

Molecular Formula

C22H35N3O4S2 (C22 H35 N3 O4 S2)

Compound Name

2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

IUPAC name

2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]butanamide

SMILES

CCC(CC1)CCC1C(NC(CCSC)C(NCCc(cc1)ccc1S(N)(=O)=O)=O)=O

InChI

InChI=1S/C22H35N3O4S2/c1-3-16-4-8-18(9-5-16)21(26)25-20(13-15-30-2)22(27)24-14-12-17-6-10-19(11-7-17)31(23,28)29/h6-7,10-11,16,18,20H,3-5,8-9,12-15H2,1-2H3,(H,24,27)(H,25,26)(H2,23,28,29)/t16?,18?,20-/m0/s1

InChI Key

MFJFPKDDSGPUAX-NLPFYKDJSA-N

MDL Number (MFCD)

MFCD03829117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.548

Water Solubility, LogSw

-2.84

Polar Surface Area

99.604

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

C155-0079 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C155-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0079?
Check Price and Availability of C155-0079, 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 C155-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0079
  • 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 C155-0079 available by request