C167-0386 Screening compound: ethyl N-[2-(1H-indol-3-yl)-1-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl]carbamate

C167-0386 Screening compound: ethyl N-[2-(1H-indol-3-yl)-1-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl]carbamate
C167-0386 Screening compound: ethyl N-[2-(1H-indol-3-yl)-1-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound C167-0386
ethyl N-[2-(1H-indol-3-yl)-1-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl]carbamate

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

C167-0386

Molecular Formula

C22H26N4O5S (C22 H26 N4 O5 S)

Compound Name

ethyl N-[2-(1H-indol-3-yl)-1-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl]carbamate

IUPAC name

ethyl N-[2-(1H-indol-3-yl)-1-{[2-(4-sulfamoylphenyl)ethyl]carbamoyl}ethyl]carbamate

SMILES

CCOC(NC(Cc1c[nH]c2c1cccc2)C(NCCc(cc1)ccc1S(N)(=O)=O)=O)=O

InChI

InChI=1S/C22H26N4O5S/c1-2-31-22(28)26-20(13-16-14-25-19-6-4-3-5-18(16)19)21(27)24-12-11-15-7-9-17(10-8-15)32(23,29)30/h3-10,14,20,25H,2,11-13H2,1H3,(H,24,27)(H,26,28)(H2,23,29,30)/t20-/m0/s1

InChI Key

UFLQELUEEALMDI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14723579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.755

Distribution Coefficient, logD

1.754

Water Solubility, LogSw

-2.25

Polar Surface Area

117.363

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C167-0386 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

PLpro Library (6343 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 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
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
  • Mimetics
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C167-0386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C167-0386?
Check Price and Availability of C167-0386, 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 C167-0386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C167-0386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C167-0386
  • 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 C167-0386 available by request