8006-2512 Screening compound: 1,3,5-triphenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-dione

8006-2512 Screening compound: 1,3,5-triphenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-dione
8006-2512 Screening compound: 1,3,5-triphenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2512
1,3,5-triphenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-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

8006-2512

Molecular Formula

C23H17N3O2 (C23 H17 N3 O2)

Compound Name

1,3,5-triphenyl-1H,3aH,4H,5H,6H,6aH-pyrrolo[3,4-c]pyrazole-4,6-dione

IUPAC name

(3aR6aR)-135-triphenyl-1H3aH4H5H6H6aH-pyrrolo[34-c]pyrazole-46-dione

SMILES

O=C([C@@H]([C@H]1C2=O)C(c3ccccc3)=NN1c1ccccc1)N2c1ccccc1

InChI

InChI=1S/C23H17N3O2/c27-22-19-20(16-10-4-1-5-11-16)24-26(18-14-8-3-9-15-18)21(19)23(28)25(22)17-12-6-2-7-13-17/h1-15,19,21H/t19-,21-/m0/s1

InChI Key

MHBMGMSLBVUTMO-FPOVZHCZSA-N

MDL Number (MFCD)

MFCD00824305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.48

Polar Surface Area

41.448

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

8.70

8006-2512 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8006-2512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2512?
Check Price and Availability of 8006-2512, 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 8006-2512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2512
  • 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 8006-2512 available by request