5537-0042 Screening compound: 6-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

5537-0042 Screening compound: 6-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
5537-0042 Screening compound: 6-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5537-0042
6-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-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

5537-0042

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

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

IUPAC name

6-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-13-dimethyl-1H2H3H4H6H-pyrrolo[34-d]pyrimidine-24-dione

SMILES

CN(c(c(C(N1C)=O)c2-c(cc3)ccc3OC)cn2-c(cccc2)c2O)C1=O

InChI

InChI=1S/C21H19N3O4/c1-22-16-12-24(15-6-4-5-7-17(15)25)19(13-8-10-14(28-3)11-9-13)18(16)20(26)23(2)21(22)27/h4-12,25H,1-3H3

InChI Key

SCHLMTWQJKQOGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03664483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.340

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-3.36

Polar Surface Area

56.578

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

5537-0042 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 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

References: we are preparing a list of scientific research reports with 5537-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5537-0042?
Check Price and Availability of 5537-0042, 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 5537-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5537-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5537-0042
  • 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 5537-0042 available by request