6494-0006 Screening compound: butyl 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

6494-0006 Screening compound: butyl 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate
6494-0006 Screening compound: butyl 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6494-0006
butyl 2-(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

6494-0006

Molecular Formula

C13H15NO4 (C13 H15 NO4)

Compound Name

butyl 2-(2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)acetate

IUPAC name

butyl 2-(2-oxo-23-dihydro-13-benzoxazol-3-yl)acetate

SMILES

CCCCOC(CN(c(cccc1)c1O1)C1=O)=O

InChI

InChI=1S/C13H15NO4/c1-2-3-8-17-12(15)9-14-10-6-4-5-7-11(10)18-13(14)16/h4-7H,2-3,8-9H2,1H3

InChI Key

GXWUGFIVOBIDRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02666422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.502

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-2.62

Polar Surface Area

43.791

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 6494-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6494-0006?
Check Price and Availability of 6494-0006, 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 6494-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6494-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6494-0006
  • 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 6494-0006 available by request