C390-0218 Screening compound: 4-[3-(4-methylphenyl)-6-oxo-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

C390-0218 Screening compound: 4-[3-(4-methylphenyl)-6-oxo-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid
C390-0218 Screening compound: 4-[3-(4-methylphenyl)-6-oxo-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0218
4-[3-(4-methylphenyl)-6-oxo-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

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

C390-0218

Molecular Formula

C24H18N4O3 (C24 H18 N4 O3)

Compound Name

4-[3-(4-methylphenyl)-6-oxo-4-(pyridin-3-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-5-yl]benzoic acid

IUPAC name

4-[3-(4-methylphenyl)-6-oxo-4-(pyridin-3-yl)-1H4H5H6H-pyrrolo[34-c]pyrazol-5-yl]benzoic acid

SMILES

Cc(cc1)ccc1-c1n[nH]c(C2=O)c1C(c1cnccc1)N2c(cc1)ccc1C(O)=O

InChI

InChI=1S/C24H18N4O3/c1-14-4-6-15(7-5-14)20-19-21(27-26-20)23(29)28(22(19)17-3-2-12-25-13-17)18-10-8-16(9-11-18)24(30)31/h2-13,22H,1H3,(H,26,27)(H,30,31)/t22-/m0/s1

InChI Key

MQXHVSXRMFWVGZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04023867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

1.400

Water Solubility, LogSw

-3.70

Polar Surface Area

77.453

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

C390-0218 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 C390-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0218?
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What is the minimum amount of C390-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0218
  • 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 C390-0218 available by request