6822-0396 Screening compound: pentyl 2-(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

6822-0396 Screening compound: pentyl 2-(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate
6822-0396 Screening compound: pentyl 2-(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6822-0396
pentyl 2-(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

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

6822-0396

Molecular Formula

C15H19NO4 (C15 H19 NO4)

Compound Name

pentyl 2-(5-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

IUPAC name

pentyl 2-(5-methyl-2-oxo-23-dihydro-13-benzoxazol-3-yl)acetate

SMILES

CCCCCOC(CN(c(cc(C)cc1)c1O1)C1=O)=O

InChI

InChI=1S/C15H19NO4/c1-3-4-5-8-19-14(17)10-16-12-9-11(2)6-7-13(12)20-15(16)18/h6-7,9H,3-5,8,10H2,1-2H3

InChI Key

WIFFYZRJPSZWBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04092175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.512

Distribution Coefficient, logD

3.512

Water Solubility, LogSw

-3.64

Polar Surface Area

43.791

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

6822-0396 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6822-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6822-0396?
Check Price and Availability of 6822-0396, 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 6822-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6822-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6822-0396
  • 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 6822-0396 available by request