J080-0885 Screening compound: 6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

J080-0885 Screening compound: 6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
J080-0885 Screening compound: 6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound J080-0885
6-(2,5-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-1,3-dimethyl-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

J080-0885

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

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

IUPAC name

6-(25-dimethylthiophen-3-yl)-5-(4-methoxyphenyl)-13-dimethyl-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

Cc1cc(-c([nH]c(N(C)C(N2C)=O)c3C2=O)c3-c(cc2)ccc2OC)c(C)s1

InChI

InChI=1S/C21H21N3O3S/c1-11-10-15(12(2)28-11)18-16(13-6-8-14(27-5)9-7-13)17-19(22-18)23(3)21(26)24(4)20(17)25/h6-10,22H,1-5H3

InChI Key

QHQSMLHSXPTGDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.711

Distribution Coefficient, logD

4.711

Water Solubility, LogSw

-4.64

Polar Surface Area

51.048

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

J080-0885 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 J080-0885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J080-0885?
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What is the minimum amount of J080-0885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J080-0885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J080-0885
  • 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 J080-0885 available by request