8016-5429 Screening compound: 6-benzyl-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione

8016-5429 Screening compound: 6-benzyl-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione
8016-5429 Screening compound: 6-benzyl-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5429
6-benzyl-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-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

8016-5429

Molecular Formula

C13H9N3O2 (C13 H9 N3 O2)

Compound Name

6-benzyl-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione

IUPAC name

6-benzyl-5H6H7H-pyrrolo[34-b]pyrazine-57-dione

SMILES

O=C(c1nccnc11)N(Cc2ccccc2)C1=O

InChI

InChI=1S/C13H9N3O2/c17-12-10-11(15-7-6-14-10)13(18)16(12)8-9-4-2-1-3-5-9/h1-7H,8H2

InChI Key

MKHXRMDMINTRMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00298144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

239.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.710

Distribution Coefficient, logD

0.710

Water Solubility, LogSw

-1.32

Polar Surface Area

49.309

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

-9.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8016-5429 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 8016-5429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5429?
Check Price and Availability of 8016-5429, 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 8016-5429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5429
  • 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 8016-5429 available by request