Y021-1213 Screening compound: 4-amino-1-(4-methylphenyl)-1H,5H,6H,7H,8H-pyrazolo[3,4-b]quinolin-5-one

Y021-1213 Screening compound: 4-amino-1-(4-methylphenyl)-1H,5H,6H,7H,8H-pyrazolo[3,4-b]quinolin-5-one
Y021-1213 Screening compound: 4-amino-1-(4-methylphenyl)-1H,5H,6H,7H,8H-pyrazolo[3,4-b]quinolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1213
4-amino-1-(4-methylphenyl)-1H,5H,6H,7H,8H-pyrazolo[3,4-b]quinolin-5-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

Y021-1213

Molecular Formula

C17H16N4O (C17 H16 N4 O)

Compound Name

4-amino-1-(4-methylphenyl)-1H,5H,6H,7H,8H-pyrazolo[3,4-b]quinolin-5-one

IUPAC name

4-amino-1-(4-methylphenyl)-1H5H6H7H8H-pyrazolo[34-b]quinolin-5-one

SMILES

Cc(cc1)ccc1-n1ncc2c1nc(CCCC1=O)c1c2N

InChI

InChI=1S/C17H16N4O/c1-10-5-7-11(8-6-10)21-17-12(9-19-21)16(18)15-13(20-17)3-2-4-14(15)22/h5-9H,2-4H2,1H3,(H2,18,20)

InChI Key

QNXUNPZCGFAPGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31614891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.171

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.34

Polar Surface Area

57.337

Acid Dissociation Constant (pKa)

16.75

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

Y021-1213 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y021-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1213?
Check Price and Availability of Y021-1213, 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 Y021-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1213
  • 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 Y021-1213 available by request