C390-0519 Screening compound: ethyl 4-[4-(2,4-dimethoxyphenyl)-6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

C390-0519 Screening compound: ethyl 4-[4-(2,4-dimethoxyphenyl)-6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate
C390-0519 Screening compound: ethyl 4-[4-(2,4-dimethoxyphenyl)-6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0519
ethyl 4-[4-(2,4-dimethoxyphenyl)-6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

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

C390-0519

Molecular Formula

C26H23N3O5S (C26 H23 N3 O5 S)

Compound Name

ethyl 4-[4-(2,4-dimethoxyphenyl)-6-oxo-3-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoate

IUPAC name

ethyl 4-[4-(24-dimethoxyphenyl)-6-oxo-3-(thiophen-2-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl]benzoate

SMILES

CCOC(c(cc1)ccc1N(C(c1c2[nH]nc1-c1cccs1)c(ccc(OC)c1)c1OC)C2=O)=O

InChI

InChI=1S/C26H23N3O5S/c1-4-34-26(31)15-7-9-16(10-8-15)29-24(18-12-11-17(32-2)14-19(18)33-3)21-22(20-6-5-13-35-20)27-28-23(21)25(29)30/h5-14,24H,4H2,1-3H3,(H,27,28)/t24-/m1/s1

InChI Key

JGPZTZQLLCHNPC-XMMPIXPASA-N

MDL Number (MFCD)

MFCD09661517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.324

Distribution Coefficient, logD

5.324

Water Solubility, LogSw

-5.35

Polar Surface Area

76.473

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

C390-0519 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C390-0519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0519?
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What is the minimum amount of C390-0519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0519
  • 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 C390-0519 available by request