7182-0086 Screening compound: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

7182-0086 Screening compound: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
7182-0086 Screening compound: 7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7182-0086
7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-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

7182-0086

Molecular Formula

C15H16N4O3 (C15 H16 N4 O3)

Compound Name

7-[(3-methoxyphenyl)methyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione

IUPAC name

7-[(3-methoxyphenyl)methyl]-13-dimethyl-2367-tetrahydro-1H-purine-26-dione

SMILES

CN(c1c(C(N2C)=O)n(Cc3cc(OC)ccc3)cn1)C2=O

InChI

InChI=1S/C15H16N4O3/c1-17-13-12(14(20)18(2)15(17)21)19(9-16-13)8-10-5-4-6-11(7-10)22-3/h4-7,9H,8H2,1-3H3

InChI Key

UPFUYIIMGLLNHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05997908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.431

Distribution Coefficient, logD

1.431

Water Solubility, LogSw

-1.79

Polar Surface Area

50.504

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

7182-0086 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 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

References: we are preparing a list of scientific research reports with 7182-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7182-0086?
Check Price and Availability of 7182-0086, 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 7182-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7182-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7182-0086
  • 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 7182-0086 available by request