J080-0490 Screening compound: 6-(4-butoxy-3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

J080-0490 Screening compound: 6-(4-butoxy-3-methoxyphenyl)-5-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
J080-0490 Screening compound: 6-(4-butoxy-3-methoxyphenyl)-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 J080-0490
6-(4-butoxy-3-methoxyphenyl)-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

J080-0490

Molecular Formula

C25H27N3O5 (C25 H27 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(ccc(-c([nH]c(N(C)C(N1)=O)c2C1=O)c2-c(cc1)ccc1OC)c1)c1OC

InChI

InChI=1S/C25H27N3O5/c1-5-6-13-33-18-12-9-16(14-19(18)32-4)22-20(15-7-10-17(31-3)11-8-15)21-23(26-22)28(2)25(30)27-24(21)29/h7-12,14,26H,5-6,13H2,1-4H3,(H,27,29,30)

InChI Key

CYQIBHDUWHEOKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27223999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.826

Distribution Coefficient, logD

4.826

Water Solubility, LogSw

-4.71

Polar Surface Area

74.078

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

J080-0490 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with J080-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J080-0490?
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What is the minimum amount of J080-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J080-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J080-0490
  • 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 J080-0490 available by request