J080-0912 Screening compound: 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione

J080-0912 Screening compound: 6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3-dimethyl-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
J080-0912 Screening compound: 6-(4-ethoxyphenyl)-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 J080-0912
6-(4-ethoxyphenyl)-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

J080-0912

Molecular Formula

C23H23N3O4 (C23 H23 N3 O4)

Compound Name

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

IUPAC name

6-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-13-dimethyl-1H2H3H4H7H-pyrrolo[23-d]pyrimidine-24-dione

SMILES

CCOc(cc1)ccc1-c([nH]c(N(C)C(N1C)=O)c2C1=O)c2-c(cc1)ccc1OC

InChI

InChI=1S/C23H23N3O4/c1-5-30-17-12-8-15(9-13-17)20-18(14-6-10-16(29-4)11-7-14)19-21(24-20)25(2)23(28)26(3)22(19)27/h6-13,24H,5H2,1-4H3

InChI Key

MMAHMBXKJSGYRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27224007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.41

Polar Surface Area

57.153

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

J080-0912 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 J080-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J080-0912?
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What is the minimum amount of J080-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J080-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J080-0912
  • 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 J080-0912 available by request