E613-0850 Screening compound: N-[2-(4-sulfamoylphenyl)ethyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

E613-0850 Screening compound: N-[2-(4-sulfamoylphenyl)ethyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide
E613-0850 Screening compound: N-[2-(4-sulfamoylphenyl)ethyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0850
N-[2-(4-sulfamoylphenyl)ethyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

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

E613-0850

Molecular Formula

C18H19N3O5S2 (C18 H19 N3 O5 S2)

Compound Name

N-[2-(4-sulfamoylphenyl)ethyl]-2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamide

IUPAC name

N-[2-(4-sulfamoylphenyl)ethyl]-2-{[5-(thiophen-2-yl)-12-oxazol-3-yl]methoxy}acetamide

SMILES

NS(c1ccc(CCNC(COCc2noc(-c3cccs3)c2)=O)cc1)(=O)=O

InChI

InChI=1S/C18H19N3O5S2/c19-28(23,24)15-5-3-13(4-6-15)7-8-20-18(22)12-25-11-14-10-16(26-21-14)17-2-1-9-27-17/h1-6,9-10H,7-8,11-12H2,(H,20,22)(H2,19,23,24)

InChI Key

QHWKRZDZJCRLKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784173

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.996

Distribution Coefficient, logD

0.995

Water Solubility, LogSw

-2.34

Polar Surface Area

106.366

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E613-0850 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E613-0850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0850?
Check Price and Availability of E613-0850, 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 E613-0850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0850
  • 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 E613-0850 available by request