D101-0611 Screening compound: 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

D101-0611 Screening compound: 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
D101-0611 Screening compound: 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0611
2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

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

D101-0611

Molecular Formula

C18H13N3O4 (C18 H13 N3 O4)

Compound Name

2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-23-dihydro-1H-isoindole-13-dione

SMILES

COc(cc1)ccc1-c1noc(CN(C(c2c3cccc2)=O)C3=O)n1

InChI

InChI=1S/C18H13N3O4/c1-24-12-8-6-11(7-9-12)16-19-15(25-20-16)10-21-17(22)13-4-2-3-5-14(13)18(21)23/h2-9H,10H2,1H3

InChI Key

LEZMJMGYBFDCRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05853939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.184

Distribution Coefficient, logD

3.184

Water Solubility, LogSw

-3.44

Polar Surface Area

68.378

Acid Dissociation Constant (pKa)

30.63

Base Dissociation Constant (pKb)

-8.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D101-0611 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Neuropeptide S Library (2850 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D101-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0611?
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What is the minimum amount of D101-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0611
  • 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 D101-0611 available by request