C594-0067 Screening compound: 1-(3-fluorobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine

C594-0067 Screening compound: 1-(3-fluorobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine
C594-0067 Screening compound: 1-(3-fluorobenzoyl)-7-methoxy-1H-pyrazolo[3,4-b]quinolin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C594-0067
1-(3-fluorobenzoyl)-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

C594-0067

Molecular Formula

C18H13FN4O2 (C18 H13 FN4 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(cc(c(N)nn2C(c3cccc(F)c3)=O)c2n2)c2c1

InChI

InChI=1S/C18H13FN4O2/c1-25-13-6-5-10-8-14-16(20)22-23(17(14)21-15(10)9-13)18(24)11-3-2-4-12(19)7-11/h2-9H,1H3,(H2,20,22)

InChI Key

CXHZJRFIQCUFSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.33

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

2.769

Distribution Coefficient, logD

2.769

Water Solubility, LogSw

-3.64

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

C594-0067 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with C594-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C594-0067?
Check Price and Availability of C594-0067, 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 C594-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C594-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C594-0067
  • 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 C594-0067 available by request