0469-0692 Screening compound: 3-(4-methoxybenzoyl)-2,3-dihydro-1,3-benzoxazol-2-one

0469-0692 Screening compound: 3-(4-methoxybenzoyl)-2,3-dihydro-1,3-benzoxazol-2-one
0469-0692 Screening compound: 3-(4-methoxybenzoyl)-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0469-0692
3-(4-methoxybenzoyl)-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

0469-0692

Molecular Formula

C15H11NO4 (C15 H11 NO4)

Compound Name

3-(4-methoxybenzoyl)-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-(4-methoxybenzoyl)-23-dihydro-13-benzoxazol-2-one

SMILES

COc(cc1)ccc1C(N(c(cccc1)c1O1)C1=O)=O

InChI

InChI=1S/C15H11NO4/c1-19-11-8-6-10(7-9-11)14(17)16-12-4-2-3-5-13(12)20-15(16)18/h2-9H,1H3

InChI Key

XTWIWRZPBNNQOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00680222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.234

Distribution Coefficient, logD

2.234

Water Solubility, LogSw

-2.51

Polar Surface Area

43.195

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-5.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

0469-0692 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Fragments Library (11262 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments
  • Pool

References: we are preparing a list of scientific research reports with 0469-0692 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0469-0692?
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What is the minimum amount of 0469-0692 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0469-0692
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0469-0692
  • 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 0469-0692 available by request