6806-5166 Screening compound: METHYL 1,5-BIS(2-METHOXYPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE

6806-5166 Screening compound: METHYL 1,5-BIS(2-METHOXYPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE
6806-5166 Screening compound: METHYL 1,5-BIS(2-METHOXYPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 6806-5166
METHYL 1,5-BIS(2-METHOXYPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE

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

6806-5166

Molecular Formula

C21H19N3O6 (C21 H19 N3 O6)

Compound Name

METHYL 1,5-BIS(2-METHOXYPHENYL)-4,6-DIOXO-1H,3AH,4H,5H,6H,6AH-PYRROLO[3,4-C]PYRAZOLE-3-CARBOXYLATE

IUPAC name

methyl 15-bis(2-methoxyphenyl)-46-dioxo-1H3aH4H5H6H6aH-pyrrolo[34-c]pyrazole-3-carboxylate

SMILES

COC(C(C(C1C(N2c(cccc3)c3OC)=O)C2=O)=NN1c(cccc1)c1OC)=O

InChI

InChI=1S/C21H19N3O6/c1-28-14-10-6-4-8-12(14)23-19(25)16-17(21(27)30-3)22-24(18(16)20(23)26)13-9-5-7-11-15(13)29-2/h4-11,16,18H,1-3H3

InChI Key

HIZKONXBHJCARZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03669320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.730

Distribution Coefficient, logD

1.682

Water Solubility, LogSw

-1.97

Polar Surface Area

77.552

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.80

6806-5166 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6806-5166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6806-5166?
Check Price and Availability of 6806-5166, 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 6806-5166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6806-5166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6806-5166
  • 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 6806-5166 available by request