8007-4192 Screening compound: 3-amino-4-(3,4-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

8007-4192 Screening compound: 3-amino-4-(3,4-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione
8007-4192 Screening compound: 3-amino-4-(3,4-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4192
3-amino-4-(3,4-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole-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

8007-4192

Molecular Formula

C12H12N2O4 (C12 H12 N2 O4)

Compound Name

3-amino-4-(3,4-dimethoxyphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione

IUPAC name

3-amino-4-(34-dimethoxyphenyl)-25-dihydro-1H-pyrrole-25-dione

SMILES

COc(ccc(C(C(NC1=O)=O)=C1N)c1)c1OC

InChI

InChI=1S/C12H12N2O4/c1-17-7-4-3-6(5-8(7)18-2)9-10(13)12(16)14-11(9)15/h3-5H,1-2H3,(H3,13,14,15,16)

InChI Key

TWTSVOCADGGDHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00775040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

248.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.045

Distribution Coefficient, logD

-0.366

Water Solubility, LogSw

-1.88

Polar Surface Area

75.372

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8007-4192 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Nucleoside Mimetics Library (2197 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8007-4192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4192?
Check Price and Availability of 8007-4192, 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 8007-4192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4192
  • 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 8007-4192 available by request