8020-4012 Screening compound: 2-{[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

8020-4012 Screening compound: 2-{[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
8020-4012 Screening compound: 2-{[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4012
2-{[3-(3-chlorophenyl)-1,2-oxazol-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

8020-4012

Molecular Formula

C18H11ClN2O3 (C18 H11 ClN2 O3)

Compound Name

2-{[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-{[3-(3-chlorophenyl)-12-oxazol-5-yl]methyl}-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c1c2cccc1)N(Cc1cc(-c3cccc(Cl)c3)no1)C2=O

InChI

InChI=1S/C18H11ClN2O3/c19-12-5-3-4-11(8-12)16-9-13(24-20-16)10-21-17(22)14-6-1-2-7-15(14)18(21)23/h1-9H,10H2

InChI Key

IMBLFVMVPSYMSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.75

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

4.197

Distribution Coefficient, logD

4.197

Water Solubility, LogSw

-4.56

Polar Surface Area

50.197

Acid Dissociation Constant (pKa)

28.86

Base Dissociation Constant (pKb)

-9.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

8020-4012 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

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 8020-4012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4012?
Check Price and Availability of 8020-4012, 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 8020-4012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4012
  • 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 8020-4012 available by request