C390-0690 Screening compound: 4-(2-METHOXYPHENYL)-3-(THIOPHEN-2-YL)-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOL-6-ONE

C390-0690 Screening compound: 4-(2-METHOXYPHENYL)-3-(THIOPHEN-2-YL)-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOL-6-ONE
C390-0690 Screening compound: 4-(2-METHOXYPHENYL)-3-(THIOPHEN-2-YL)-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOL-6-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C390-0690
4-(2-METHOXYPHENYL)-3-(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

C390-0690

Molecular Formula

C16H13N3O2S (C16 H13 N3 O2 S)

Compound Name

4-(2-METHOXYPHENYL)-3-(THIOPHEN-2-YL)-1H,4H,5H,6H-PYRROLO[3,4-C]PYRAZOL-6-ONE

IUPAC name

n/a

SMILES

COc1c(C(c2c3[nH]nc2-c2cccs2)NC3=O)cccc1

InChI

InChI=1S/C16H13N3O2S/c1-21-10-6-3-2-5-9(10)13-12-14(11-7-4-8-22-11)18-19-15(12)16(20)17-13/h2-8,13H,1H3,(H,17,20)(H,18,19)/t13-/m1/s1

InChI Key

VONXIQFNUQKYCQ-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD14755850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

2.917

Water Solubility, LogSw

-3.51

Polar Surface Area

58.693

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

C390-0690 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C390-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C390-0690?
Check Price and Availability of C390-0690, 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 C390-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C390-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C390-0690
  • 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 C390-0690 available by request