J080-0452 Screening compound: 5,6-bis(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

J080-0452 Screening compound: 5,6-bis(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
J080-0452 Screening compound: 5,6-bis(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J080-0452
5,6-bis(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,7H-pyrrolo[2,3-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

J080-0452

Molecular Formula

C21H19N3O4 (C21 H19 N3 O4)

Compound Name

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

IUPAC name

56-bis(4-methoxyphenyl)-1-methyl-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

CN(c([nH]c(-c(cc1)ccc1OC)c1-c(cc2)ccc2OC)c1C(N1)=O)C1=O

InChI

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

InChI Key

GCYYQILHRCHGJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.715

Distribution Coefficient, logD

3.715

Water Solubility, LogSw

-4.46

Polar Surface Area

66.487

Acid Dissociation Constant (pKa)

6.21

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J080-0452 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with J080-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J080-0452?
Check Price and Availability of J080-0452, 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 J080-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J080-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J080-0452
  • 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 J080-0452 available by request