C390-0020 Screening compound: methyl 4-[3-(4-bromophenyl)-5-(4-chlorophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate

C390-0020 Screening compound: methyl 4-[3-(4-bromophenyl)-5-(4-chlorophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate
C390-0020 Screening compound: methyl 4-[3-(4-bromophenyl)-5-(4-chlorophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0020
methyl 4-[3-(4-bromophenyl)-5-(4-chlorophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-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

C390-0020

Molecular Formula

C25H17BrClN3O3 (C25 H17 BrClN3 O3)

Compound Name

methyl 4-[3-(4-bromophenyl)-5-(4-chlorophenyl)-6-oxo-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-4-yl]benzoate

IUPAC name

methyl 4-[3-(4-bromophenyl)-5-(4-chlorophenyl)-6-oxo-1H4H5H6H-pyrrolo[34-c]pyrazol-4-yl]benzoate

SMILES

COC(c1ccc(C(c2c(C3=O)[nH]nc2-c(cc2)ccc2Br)N3c(cc2)ccc2Cl)cc1)=O

InChI

InChI=1S/C25H17BrClN3O3/c1-33-25(32)16-4-2-15(3-5-16)23-20-21(14-6-8-17(26)9-7-14)28-29-22(20)24(31)30(23)19-12-10-18(27)11-13-19/h2-13,23H,1H3,(H,28,29)/t23-/m1/s1

InChI Key

YJUSXTIHESTBMD-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD05259002

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.207

Distribution Coefficient, logD

6.207

Water Solubility, LogSw

-6.55

Polar Surface Area

60.701

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

C390-0020 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 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 C390-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0020?
Check Price and Availability of C390-0020, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C390-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0020
  • 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 C390-0020 available by request