8015-0273 Screening compound: 1-methyl-4-phenyl-6-(2-phenylethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

8015-0273 Screening compound: 1-methyl-4-phenyl-6-(2-phenylethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione
8015-0273 Screening compound: 1-methyl-4-phenyl-6-(2-phenylethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0273
1-methyl-4-phenyl-6-(2-phenylethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-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

8015-0273

Molecular Formula

C21H21N3O2 (C21 H21 N3 O2)

Compound Name

1-methyl-4-phenyl-6-(2-phenylethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[3,4-d]pyrimidine-2,5-dione

IUPAC name

1-methyl-4-phenyl-6-(2-phenylethyl)-1H2H3H4H5H6H7H-pyrrolo[34-d]pyrimidine-25-dione

SMILES

CN(C(CN1CCc2ccccc2)=C(C(c2ccccc2)N2)C1=O)C2=O

InChI

InChI=1S/C21H21N3O2/c1-23-17-14-24(13-12-15-8-4-2-5-9-15)20(25)18(17)19(22-21(23)26)16-10-6-3-7-11-16/h2-11,19H,12-14H2,1H3,(H,22,26)/t19-/m0/s1

InChI Key

XSQFNYWMOPXMRG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD03854892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.440

Distribution Coefficient, logD

2.397

Water Solubility, LogSw

-2.75

Polar Surface Area

44.481

Acid Dissociation Constant (pKa)

8.38

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

8015-0273 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8015-0273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0273?
Check Price and Availability of 8015-0273, 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 8015-0273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0273
  • 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 8015-0273 available by request