6055-0106 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)-6-propyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

6055-0106 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)-6-propyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
6055-0106 Screening compound: 1,3-dimethyl-5-(4-methylphenyl)-6-propyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6055-0106
1,3-dimethyl-5-(4-methylphenyl)-6-propyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-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

6055-0106

Molecular Formula

C18H21N3O2 (C18 H21 N3 O2)

Compound Name

1,3-dimethyl-5-(4-methylphenyl)-6-propyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

IUPAC name

13-dimethyl-5-(4-methylphenyl)-6-propyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CCCn(cc1N(C)C(N2C)=O)c(-c3ccc(C)cc3)c1C2=O

InChI

InChI=1S/C18H21N3O2/c1-5-10-21-11-14-15(17(22)20(4)18(23)19(14)3)16(21)13-8-6-12(2)7-9-13/h6-9,11H,5,10H2,1-4H3

InChI Key

KHXYRLIHCRAYSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04027242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.04

Polar Surface Area

32.578

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6055-0106 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6055-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6055-0106?
Check Price and Availability of 6055-0106, 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 6055-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6055-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6055-0106
  • 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 6055-0106 available by request