J080-0446 Screening compound: 6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

J080-0446 Screening compound: 6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
J080-0446 Screening compound: 6-(2,5-dimethylthiophen-3-yl)-5-(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 J080-0446
6-(2,5-dimethylthiophen-3-yl)-5-(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

J080-0446

Molecular Formula

C20H19N3O3S (C20 H19 N3 O3 S)

Compound Name

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

IUPAC name

6-(25-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1-methyl-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

Cc1cc(-c([nH]c(N(C)C(N2)=O)c3C2=O)c3-c(cc2)ccc2OC)c(C)s1

InChI

InChI=1S/C20H19N3O3S/c1-10-9-14(11(2)27-10)17-15(12-5-7-13(26-4)8-6-12)16-18(21-17)23(3)20(25)22-19(16)24/h5-9,21H,1-4H3,(H,22,24,25)

InChI Key

QGASQKPFJCMDCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.391

Distribution Coefficient, logD

4.391

Water Solubility, LogSw

-4.52

Polar Surface Area

59.962

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

J080-0446 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J080-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J080-0446?
Check Price and Availability of J080-0446, 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 J080-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J080-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J080-0446
  • 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 J080-0446 available by request