4606-3609 Screening compound: ethyl 2-(5-methyl-3-phenyl-1,2-oxazole-4-amido)benzoate

4606-3609 Screening compound: ethyl 2-(5-methyl-3-phenyl-1,2-oxazole-4-amido)benzoate
4606-3609 Screening compound: ethyl 2-(5-methyl-3-phenyl-1,2-oxazole-4-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4606-3609
ethyl 2-(5-methyl-3-phenyl-1,2-oxazole-4-amido)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

4606-3609

Molecular Formula

C20H18N2O4 (C20 H18 N2 O4)

Compound Name

ethyl 2-(5-methyl-3-phenyl-1,2-oxazole-4-amido)benzoate

IUPAC name

ethyl 2-(5-methyl-3-phenyl-12-oxazole-4-amido)benzoate

SMILES

CCOC(c(cccc1)c1NC(c1c(C)onc1-c1ccccc1)=O)=O

InChI

InChI=1S/C20H18N2O4/c1-3-25-20(24)15-11-7-8-12-16(15)21-19(23)17-13(2)26-22-18(17)14-9-5-4-6-10-14/h4-12H,3H2,1-2H3,(H,21,23)

InChI Key

YRENYGMAIYEIPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03379626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.772

Distribution Coefficient, logD

3.692

Water Solubility, LogSw

-4.26

Polar Surface Area

65.346

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

4606-3609 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Agro:
  • Agro
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4606-3609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4606-3609?
Check Price and Availability of 4606-3609, 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 4606-3609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4606-3609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4606-3609
  • 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 4606-3609 available by request