8020-7818 Screening compound: 3a-(1,1-dimethyl-2-oxopropyl)dihydropyrrolo[3,4-c]pyrrole-1,3,4,6(2H,5H)-tetraone

8020-7818 Screening compound: 3a-(1,1-dimethyl-2-oxopropyl)dihydropyrrolo[3,4-c]pyrrole-1,3,4,6(2H,5H)-tetraone
8020-7818 Screening compound: 3a-(1,1-dimethyl-2-oxopropyl)dihydropyrrolo[3,4-c]pyrrole-1,3,4,6(2H,5H)-tetraone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7818
3a-(1,1-dimethyl-2-oxopropyl)dihydropyrrolo[3,4-c]pyrrole-1,3,4,6(2H,5H)-tetraone

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

8020-7818

Molecular Formula

C11H12N2O5 (C11 H12 N2 O5)

Compound Name

3a-(1,1-dimethyl-2-oxopropyl)dihydropyrrolo[3,4-c]pyrrole-1,3,4,6(2H,5H)-tetraone

IUPAC name

3a-(2-methyl-3-oxobutan-2-yl)-octahydropyrrolo[34-c]pyrrole-1346-tetrone

SMILES

CC(C)(C(C(C(N1)=O)C(N2)=O)(C1=O)C2=O)C(C)=O

InChI

InChI=1S/C11H12N2O5/c1-4(14)10(2,3)11-5(6(15)12-8(11)17)7(16)13-9(11)18/h5H,1-3H3,(H,12,15,17)(H,13,16,18)

InChI Key

QQRRCYHTTBSQKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30711403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.850

Distribution Coefficient, logD

-2.289

Water Solubility, LogSw

-1.19

Polar Surface Area

91.868

Acid Dissociation Constant (pKa)

5.98

Base Dissociation Constant (pKb)

-7.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.54

8020-7818 in Drug Discovery

Included in Screening Libraries

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

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8020-7818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7818?
Check Price and Availability of 8020-7818, 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 8020-7818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7818
  • 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 8020-7818 available by request