C390-0231 Screening compound: 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0231 Screening compound: 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0231 Screening compound: 4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0231
4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

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

C390-0231

Molecular Formula

C19H16FN3O (C19 H16 FN3 O)

Compound Name

4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(2-fluorophenyl)-3-methyl-5-(4-methylphenyl)-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

Cc1n[nH]c(C2=O)c1C(c(cccc1)c1F)N2c1ccc(C)cc1

InChI

InChI=1S/C19H16FN3O/c1-11-7-9-13(10-8-11)23-18(14-5-3-4-6-15(14)20)16-12(2)21-22-17(16)19(23)24/h3-10,18H,1-2H3,(H,21,22)/t18-/m1/s1

InChI Key

YWGHYJLNWLMXBC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD04024829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.824

Distribution Coefficient, logD

3.824

Water Solubility, LogSw

-3.95

Polar Surface Area

39.605

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

C390-0231 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Antiviral Annotated Library (21441 compounds)

BRD4 Targeted Library (4534 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Agro:
  • Agro
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C390-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0231?
Check Price and Availability of C390-0231, 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 C390-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0231
  • 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 C390-0231 available by request