C390-0333 Screening compound: ethyl 4-{6-oxo-3-phenyl-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}benzoate

C390-0333 Screening compound: ethyl 4-{6-oxo-3-phenyl-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}benzoate
C390-0333 Screening compound: ethyl 4-{6-oxo-3-phenyl-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0333
ethyl 4-{6-oxo-3-phenyl-4-[4-(propan-2-yl)phenyl]-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

C390-0333

Molecular Formula

C29H27N3O3 (C29 H27 N3 O3)

Compound Name

ethyl 4-{6-oxo-3-phenyl-4-[4-(propan-2-yl)phenyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl}benzoate

IUPAC name

ethyl 4-{6-oxo-3-phenyl-4-[4-(propan-2-yl)phenyl]-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(c1c2[nH]nc1-c1ccccc1)c1ccc(C(C)C)cc1)C2=O)=O

InChI

InChI=1S/C29H27N3O3/c1-4-35-29(34)22-14-16-23(17-15-22)32-27(21-12-10-19(11-13-21)18(2)3)24-25(20-8-6-5-7-9-20)30-31-26(24)28(32)33/h5-18,27H,4H2,1-3H3,(H,30,31)/t27-/m0/s1

InChI Key

JMRPUDYJFCIUCJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD09661360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.522

Distribution Coefficient, logD

6.522

Water Solubility, LogSw

-5.90

Polar Surface Area

60.281

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

C390-0333 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C390-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0333?
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What is the minimum amount of C390-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0333
  • 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 C390-0333 available by request