J080-0040 Screening compound: 6-(4-ethylphenyl)-5-(4-methoxyphenyl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

J080-0040 Screening compound: 6-(4-ethylphenyl)-5-(4-methoxyphenyl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
J080-0040 Screening compound: 6-(4-ethylphenyl)-5-(4-methoxyphenyl)-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J080-0040
6-(4-ethylphenyl)-5-(4-methoxyphenyl)-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

J080-0040

Molecular Formula

C21H19N3O3 (C21 H19 N3 O3)

Compound Name

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

IUPAC name

6-(4-ethylphenyl)-5-(4-methoxyphenyl)-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

CCc(cc1)ccc1-c([nH]c(NC(N1)=O)c2C1=O)c2-c(cc1)ccc1OC

InChI

InChI=1S/C21H19N3O3/c1-3-12-4-6-14(7-5-12)18-16(13-8-10-15(27-2)11-9-13)17-19(22-18)23-21(26)24-20(17)25/h4-11H,3H2,1-2H3,(H3,22,23,24,25,26)

InChI Key

WPQHNAJMVVYSPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223979

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

4.169

Water Solubility, LogSw

-4.41

Polar Surface Area

67.102

Acid Dissociation Constant (pKa)

5.61

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J080-0040 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J080-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J080-0040?
Check Price and Availability of J080-0040, 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 J080-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J080-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J080-0040
  • 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 J080-0040 available by request