6494-0089 Screening compound: 3-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one

6494-0089 Screening compound: 3-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one
6494-0089 Screening compound: 3-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6494-0089
3-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one

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

6494-0089

Molecular Formula

C19H21NO4 (C19 H21 NO4)

Compound Name

3-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-[(3-methoxy-4-propoxyphenyl)methyl]-5-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

CCCOc(ccc(CN(c(cc(C)cc1)c1O1)C1=O)c1)c1OC

InChI

InChI=1S/C19H21NO4/c1-4-9-23-17-8-6-14(11-18(17)22-3)12-20-15-10-13(2)5-7-16(15)24-19(20)21/h5-8,10-11H,4,9,12H2,1-3H3

InChI Key

NSPARTVTMCPWJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04092171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.253

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-4.38

Polar Surface Area

38.202

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

6494-0089 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6494-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6494-0089?
Check Price and Availability of 6494-0089, 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 6494-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6494-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6494-0089
  • 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 6494-0089 available by request