1068-0008 Screening compound: 3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

1068-0008 Screening compound: 3-methyl-2,3-dihydro-1,3-benzoxazol-2-one
1068-0008 Screening compound: 3-methyl-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1068-0008
3-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

1068-0008

Molecular Formula

C8H7NO2 (C8 H7 NO2)

Compound Name

3-methyl-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-methyl-23-dihydro-13-benzoxazol-2-one

SMILES

CN(c(cccc1)c1O1)C1=O

InChI

InChI=1S/C8H7NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3

InChI Key

QRMRRLXXFHXMBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00748831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

149.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.395

Distribution Coefficient, logD

1.395

Water Solubility, LogSw

-1.73

Polar Surface Area

23.104

Acid Dissociation Constant (pKa)

30.27

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1068-0008 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Eye
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1068-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1068-0008?
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What is the minimum amount of 1068-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1068-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1068-0008
  • 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 1068-0008 available by request