C390-0589 Screening compound: 3-(4-methylphenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one

C390-0589 Screening compound: 3-(4-methylphenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one
C390-0589 Screening compound: 3-(4-methylphenyl)-4-(thiophen-2-yl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0589
3-(4-methylphenyl)-4-(thiophen-2-yl)-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

C390-0589

Molecular Formula

C16H13N3OS (C16 H13 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-c1n[nH]c2c1C(c1cccs1)NC2=O

InChI

InChI=1S/C16H13N3OS/c1-9-4-6-10(7-5-9)13-12-14(11-3-2-8-21-11)17-16(20)15(12)19-18-13/h2-8,14H,1H3,(H,17,20)(H,18,19)/t14-/m0/s1

InChI Key

PHTANHLXRGJYGQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14755813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.884

Distribution Coefficient, logD

2.884

Water Solubility, LogSw

-3.37

Polar Surface Area

51.063

Acid Dissociation Constant (pKa)

12.45

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

C390-0589 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C390-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0589?
Check Price and Availability of C390-0589, 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 C390-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0589
  • 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 C390-0589 available by request