C594-0021 Screening compound: 7-methoxy-1-(3-nitrobenzoyl)-1H-pyrazolo[3,4-b]quinolin-3-amine

C594-0021 Screening compound: 7-methoxy-1-(3-nitrobenzoyl)-1H-pyrazolo[3,4-b]quinolin-3-amine
C594-0021 Screening compound: 7-methoxy-1-(3-nitrobenzoyl)-1H-pyrazolo[3,4-b]quinolin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C594-0021
7-methoxy-1-(3-nitrobenzoyl)-1H-pyrazolo[3,4-b]quinolin-3-amine

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

C594-0021

Molecular Formula

C18H13N5O4 (C18 H13 N5 O4)

Compound Name

7-methoxy-1-(3-nitrobenzoyl)-1H-pyrazolo[3,4-b]quinolin-3-amine

IUPAC name

7-methoxy-1-(3-nitrobenzoyl)-1H-pyrazolo[34-b]quinolin-3-amine

SMILES

COc1ccc(cc(c(N)nn2C(c3cccc([N+]([O-])=O)c3)=O)c2n2)c2c1

InChI

InChI=1S/C18H13N5O4/c1-27-13-6-5-10-8-14-16(19)21-22(17(14)20-15(10)9-13)18(24)11-3-2-4-12(7-11)23(25)26/h2-9H,1H3,(H2,19,21)

InChI Key

FFXGMMIVOJYTIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.592

Distribution Coefficient, logD

2.592

Water Solubility, LogSw

-3.33

Polar Surface Area

97.590

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C594-0021 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human Phosphatases Annotated Library (206 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with C594-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C594-0021?
Check Price and Availability of C594-0021, 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 C594-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C594-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C594-0021
  • 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 C594-0021 available by request