C594-0035 Screening compound: 1-{3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl}-2-(4-nitrophenyl)ethan-1-one

C594-0035 Screening compound: 1-{3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl}-2-(4-nitrophenyl)ethan-1-one
C594-0035 Screening compound: 1-{3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl}-2-(4-nitrophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C594-0035
1-{3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl}-2-(4-nitrophenyl)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

C594-0035

Molecular Formula

C19H15N5O4 (C19 H15 N5 O4)

Compound Name

1-{3-amino-7-methoxy-1H-pyrazolo[3,4-b]quinolin-1-yl}-2-(4-nitrophenyl)ethan-1-one

IUPAC name

1-{3-amino-7-methoxy-1H-pyrazolo[34-b]quinolin-1-yl}-2-(4-nitrophenyl)ethan-1-one

SMILES

COc1ccc(cc(c(N)nn2C(Cc(cc3)ccc3[N+]([O-])=O)=O)c2n2)c2c1

InChI

InChI=1S/C19H15N5O4/c1-28-14-7-4-12-9-15-18(20)22-23(19(15)21-16(12)10-14)17(25)8-11-2-5-13(6-3-11)24(26)27/h2-7,9-10H,8H2,1H3,(H2,20,22)

InChI Key

QZGUGXUAWFGMRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14774186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.696

Distribution Coefficient, logD

2.692

Water Solubility, LogSw

-3.50

Polar Surface Area

97.063

Acid Dissociation Constant (pKa)

9.42

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

C594-0035 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 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 C594-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C594-0035?
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What is the minimum amount of C594-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C594-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C594-0035
  • 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 C594-0035 available by request