C390-0237 Screening compound: 4-(4-tert-butylphenyl)-3-methyl-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0237 Screening compound: 4-(4-tert-butylphenyl)-3-methyl-5-(4-methylphenyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0237 Screening compound: 4-(4-tert-butylphenyl)-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 C390-0237
4-(4-tert-butylphenyl)-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

C390-0237

Molecular Formula

C23H25N3O (C23 H25 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1ccc(C(c2c(C3=O)[nH]nc2C)N3c2ccc(C)cc2)cc1

InChI

InChI=1S/C23H25N3O/c1-14-6-12-18(13-7-14)26-21(19-15(2)24-25-20(19)22(26)27)16-8-10-17(11-9-16)23(3,4)5/h6-13,21H,1-5H3,(H,24,25)/t21-/m0/s1

InChI Key

BSQPXMKFUUFHOI-NRFANRHFSA-N

MDL Number (MFCD)

MFCD09661303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.432

Distribution Coefficient, logD

5.432

Water Solubility, LogSw

-5.54

Polar Surface Area

39.605

Acid Dissociation Constant (pKa)

12.01

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

C390-0237 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 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
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C390-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0237?
Check Price and Availability of C390-0237, 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 C390-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0237
  • 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 C390-0237 available by request