G856-4513 Screening compound: N'-[2-(2-methoxyphenyl)ethyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide

G856-4513 Screening compound: N'-[2-(2-methoxyphenyl)ethyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide
G856-4513 Screening compound: N'-[2-(2-methoxyphenyl)ethyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-4513
N'-[2-(2-methoxyphenyl)ethyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide

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

G856-4513

Molecular Formula

C21H22N2O5S3 (C21 H22 N2 O5 S3)

Compound Name

N'-[2-(2-methoxyphenyl)ethyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide

IUPAC name

N'-[2-(2-methoxyphenyl)ethyl]-N-[2-(thiophen-2-yl)-2-(thiophene-2-sulfonyl)ethyl]ethanediamide

SMILES

COc1c(CCNC(C(NCC(c2cccs2)S(c2cccs2)(=O)=O)=O)=O)cccc1

InChI

InChI=1S/C21H22N2O5S3/c1-28-16-7-3-2-6-15(16)10-11-22-20(24)21(25)23-14-18(17-8-4-12-29-17)31(26,27)19-9-5-13-30-19/h2-9,12-13,18H,10-11,14H2,1H3,(H,22,24)(H,23,25)/t18-/m0/s1

InChI Key

TZRQIMQOIBSNML-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07192248

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.442

Distribution Coefficient, logD

2.436

Water Solubility, LogSw

-2.72

Polar Surface Area

88.346

Acid Dissociation Constant (pKa)

9.34

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

G856-4513 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G856-4513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-4513?
Check Price and Availability of G856-4513, 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 G856-4513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-4513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-4513
  • 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 G856-4513 available by request