D077-0081 Screening compound: 6-(2-hydroxy-5-methylphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione

D077-0081 Screening compound: 6-(2-hydroxy-5-methylphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione
D077-0081 Screening compound: 6-(2-hydroxy-5-methylphenyl)-1,3-dimethyl-5-(4-methylphenyl)-1H,2H,3H,4H,6H-pyrrolo[3,4-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D077-0081
6-(2-hydroxy-5-methylphenyl)-1,3-dimethyl-5-(4-methylphenyl)-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

D077-0081

Molecular Formula

C22H21N3O3 (C22 H21 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c(n(cc1N(C)C(N2C)=O)-c(cc(C)cc3)c3O)c1C2=O

InChI

InChI=1S/C22H21N3O3/c1-13-5-8-15(9-6-13)20-19-17(23(3)22(28)24(4)21(19)27)12-25(20)16-11-14(2)7-10-18(16)26/h5-12,26H,1-4H3

InChI Key

LPDCUUHVZRUHBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09698738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.222

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-4.03

Polar Surface Area

49.034

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D077-0081 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D077-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D077-0081?
Check Price and Availability of D077-0081, 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 D077-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D077-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D077-0081
  • 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 D077-0081 available by request