8008-8121 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[2-(4-methoxyphenyl)ethyl]amino}pyrrolidine-2,5-dione

8008-8121 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[2-(4-methoxyphenyl)ethyl]amino}pyrrolidine-2,5-dione
8008-8121 Screening compound: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[2-(4-methoxyphenyl)ethyl]amino}pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8121
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[2-(4-methoxyphenyl)ethyl]amino}pyrrolidine-2,5-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

8008-8121

Molecular Formula

C23H28N2O5 (C23 H28 N2 O5)

Compound Name

1-[2-(3,4-dimethoxyphenyl)ethyl]-3-{[2-(4-methoxyphenyl)ethyl]amino}pyrrolidine-2,5-dione

IUPAC name

1-[2-(34-dimethoxyphenyl)ethyl]-3-{[2-(4-methoxyphenyl)ethyl]amino}pyrrolidine-25-dione

SMILES

COc1ccc(CCNC(CC(N2CCc(cc3)cc(OC)c3OC)=O)C2=O)cc1

InChI

InChI=1S/C23H28N2O5/c1-28-18-7-4-16(5-8-18)10-12-24-19-15-22(26)25(23(19)27)13-11-17-6-9-20(29-2)21(14-17)30-3/h4-9,14,19,24H,10-13,15H2,1-3H3/t19-/m0/s1

InChI Key

IZVGKCYZCHTGPZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01333324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.278

Distribution Coefficient, logD

1.263

Water Solubility, LogSw

-2.07

Polar Surface Area

64.145

Acid Dissociation Constant (pKa)

18.39

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

8008-8121 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8008-8121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8121?
Check Price and Availability of 8008-8121, 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 8008-8121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8121
  • 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 8008-8121 available by request