C390-0561 Screening compound: 4-(furan-2-yl)-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0561 Screening compound: 4-(furan-2-yl)-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0561 Screening compound: 4-(furan-2-yl)-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0561
4-(furan-2-yl)-3-phenyl-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

C390-0561

Molecular Formula

C15H11N3O2 (C15 H11 N3 O2)

Compound Name

4-(furan-2-yl)-3-phenyl-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

IUPAC name

4-(furan-2-yl)-3-phenyl-1H4H5H6H-pyrrolo[34-c]pyrazol-6-one

SMILES

O=C1NC(c2ccco2)c2c1[nH]nc2-c1ccccc1

InChI

InChI=1S/C15H11N3O2/c19-15-14-11(13(16-15)10-7-4-8-20-10)12(17-18-14)9-5-2-1-3-6-9/h1-8,13H,(H,16,19)(H,17,18)/t13-/m1/s1

InChI Key

FLDNOXZGSMTHBN-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD26965034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.932

Distribution Coefficient, logD

1.932

Water Solubility, LogSw

-2.20

Polar Surface Area

58.623

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

C390-0561 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C390-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0561?
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What is the minimum amount of C390-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0561
  • 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 C390-0561 available by request