C594-0014 Screening compound: 1-(2-chlorobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine

C594-0014 Screening compound: 1-(2-chlorobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine
C594-0014 Screening compound: 1-(2-chlorobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C594-0014
1-(2-chlorobenzoyl)-7-methoxy-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

C594-0014

Molecular Formula

C18H13ClN4O2 (C18 H13 ClN4 O2)

Compound Name

1-(2-chlorobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine

IUPAC name

1-(2-chlorobenzoyl)-7-methoxy-1H-pyrazolo[34-b]quinolin-3-amine

SMILES

COc1ccc(cc(c(N)nn2C(c(cccc3)c3Cl)=O)c2n2)c2c1

InChI

InChI=1S/C18H13ClN4O2/c1-25-11-7-6-10-8-13-16(20)22-23(17(13)21-15(10)9-11)18(24)12-4-2-3-5-14(12)19/h2-9H,1H3,(H2,20,22)

InChI Key

ZGWOZTCJQJPLQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.67

Polar Surface Area

64.208

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C594-0014 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Human GPCR Annotated Library (5539 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C594-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C594-0014?
Check Price and Availability of C594-0014, 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 C594-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C594-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C594-0014
  • 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 C594-0014 available by request