8006-1086 Screening compound: ethyl 2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetate

8006-1086 Screening compound: ethyl 2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetate
8006-1086 Screening compound: ethyl 2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1086
ethyl 2-[2-oxo-1,3-benzoxazol-3(2H)-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

8006-1086

Molecular Formula

C11H11NO4 (C11 H11 NO4)

Compound Name

ethyl 2-[2-oxo-1,3-benzoxazol-3(2H)-yl]acetate

IUPAC name

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

SMILES

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

InChI

InChI=1S/C11H11NO4/c1-2-15-10(13)7-12-8-5-3-4-6-9(8)16-11(12)14/h3-6H,2,7H2,1H3

InChI Key

WPYCPWHVMGKKRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823452

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

221.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.630

Distribution Coefficient, logD

1.630

Water Solubility, LogSw

-2.09

Polar Surface Area

43.497

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

8006-1086 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8006-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1086?
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What is the minimum amount of 8006-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1086
  • 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 8006-1086 available by request