D042-0075 Screening compound: N-[8-methyl-1-(2-methylpropyl)-1H-pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide

D042-0075 Screening compound: N-[8-methyl-1-(2-methylpropyl)-1H-pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide
D042-0075 Screening compound: N-[8-methyl-1-(2-methylpropyl)-1H-pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0075
N-[8-methyl-1-(2-methylpropyl)-1H-pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide

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

D042-0075

Molecular Formula

C21H22N4O2S (C21 H22 N4 O2 S)

Compound Name

N-[8-methyl-1-(2-methylpropyl)-1H-pyrazolo[3,4-b]quinolin-3-yl]benzenesulfonamide

IUPAC name

N-[8-methyl-1-(2-methylpropyl)-1H-pyrazolo[34-b]quinolin-3-yl]benzenesulfonamide

SMILES

CC(C)Cn(c1nc2c(C)cccc2cc11)nc1NS(c1ccccc1)(=O)=O

InChI

InChI=1S/C21H22N4O2S/c1-14(2)13-25-21-18(12-16-9-7-8-15(3)19(16)22-21)20(23-25)24-28(26,27)17-10-5-4-6-11-17/h4-12,14H,13H2,1-3H3,(H,23,24)

InChI Key

ORCDJUWFCFYAHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

1.619

Water Solubility, LogSw

-4.90

Polar Surface Area

64.967

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D042-0075 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D042-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0075?
Check Price and Availability of D042-0075, 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 D042-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0075
  • 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 D042-0075 available by request