E613-0713 Screening compound: methyl 2-(2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate

E613-0713 Screening compound: methyl 2-(2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate
E613-0713 Screening compound: methyl 2-(2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E613-0713
methyl 2-(2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate

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

E613-0713

Molecular Formula

C18H16N2O5S (C18 H16 N2 O5 S)

Compound Name

methyl 2-(2-{[5-(thiophen-2-yl)-1,2-oxazol-3-yl]methoxy}acetamido)benzoate

IUPAC name

methyl 2-(2-{[5-(thiophen-2-yl)-12-oxazol-3-yl]methoxy}acetamido)benzoate

SMILES

COC(c(cccc1)c1NC(COCc1noc(-c2cccs2)c1)=O)=O

InChI

InChI=1S/C18H16N2O5S/c1-23-18(22)13-5-2-3-6-14(13)19-17(21)11-24-10-12-9-15(25-20-12)16-7-4-8-26-16/h2-9H,10-11H2,1H3,(H,19,21)

InChI Key

CPLMJASEVHJTKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09784107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.020

Water Solubility, LogSw

-3.49

Polar Surface Area

75.075

Acid Dissociation Constant (pKa)

8.39

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E613-0713 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E613-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E613-0713?
Check Price and Availability of E613-0713, 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 E613-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E613-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E613-0713
  • 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 E613-0713 available by request