4334-1820 Screening compound: N-(2,5-dimethoxyphenyl)-1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

4334-1820 Screening compound: N-(2,5-dimethoxyphenyl)-1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide
4334-1820 Screening compound: N-(2,5-dimethoxyphenyl)-1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4334-1820
N-(2,5-dimethoxyphenyl)-1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

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

4334-1820

Molecular Formula

C22H22N2O6 (C22 H22 N2 O6)

Compound Name

N-(2,5-dimethoxyphenyl)-1,3-dioxo-2-[(oxolan-2-yl)methyl]-2,3-dihydro-1H-isoindole-5-carboxamide

IUPAC name

N-(25-dimethoxyphenyl)-13-dioxo-2-[(oxolan-2-yl)methyl]-23-dihydro-1H-isoindole-5-carboxamide

SMILES

COc(cc1)cc(NC(c(cc2)cc(C(N3CC4OCCC4)=O)c2C3=O)=O)c1OC

InChI

InChI=1S/C22H22N2O6/c1-28-14-6-8-19(29-2)18(11-14)23-20(25)13-5-7-16-17(10-13)22(27)24(21(16)26)12-15-4-3-9-30-15/h5-8,10-11,15H,3-4,9,12H2,1-2H3,(H,23,25)/t15-/m1/s1

InChI Key

WFMMOBVVDZKYGR-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01974357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.350

Distribution Coefficient, logD

2.184

Water Solubility, LogSw

-3.12

Polar Surface Area

75.713

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

4334-1820 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with 4334-1820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4334-1820?
Check Price and Availability of 4334-1820, 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 4334-1820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4334-1820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4334-1820
  • 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 4334-1820 available by request