C594-0052 Screening compound: 1-{3-AMINO-7-METHOXY-1H-PYRAZOLO[3,4-B]QUINOLIN-1-YL}-2-(2-METHOXYPHENYL)ETHAN-1-ONE

C594-0052 Screening compound: 1-{3-AMINO-7-METHOXY-1H-PYRAZOLO[3,4-B]QUINOLIN-1-YL}-2-(2-METHOXYPHENYL)ETHAN-1-ONE
C594-0052 Screening compound: 1-{3-AMINO-7-METHOXY-1H-PYRAZOLO[3,4-B]QUINOLIN-1-YL}-2-(2-METHOXYPHENYL)ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound C594-0052
1-{3-AMINO-7-METHOXY-1H-PYRAZOLO[3,4-B]QUINOLIN-1-YL}-2-(2-METHOXYPHENYL)ETHAN-1-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

C594-0052

Molecular Formula

C20H18N4O3 (C20 H18 N4 O3)

Compound Name

1-{3-AMINO-7-METHOXY-1H-PYRAZOLO[3,4-B]QUINOLIN-1-YL}-2-(2-METHOXYPHENYL)ETHAN-1-ONE

IUPAC name

n/a

SMILES

COc1ccc(cc(c(N)nn2C(Cc(cccc3)c3OC)=O)c2n2)c2c1

InChI

InChI=1S/C20H18N4O3/c1-26-14-8-7-12-9-15-19(21)23-24(20(15)22-16(12)11-14)18(25)10-13-5-3-4-6-17(13)27-2/h3-9,11H,10H2,1-2H3,(H2,21,23)

InChI Key

AFARTCQWZVTVJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.882

Water Solubility, LogSw

-3.64

Polar Surface Area

71.312

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C594-0052 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Others

References: we are preparing a list of scientific research reports with C594-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C594-0052?
Check Price and Availability of C594-0052, 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 C594-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C594-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C594-0052
  • 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 C594-0052 available by request