D042-0074 Screening compound: N-{1-butyl-8-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl}-3-chlorobenzamide

D042-0074 Screening compound: N-{1-butyl-8-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl}-3-chlorobenzamide
D042-0074 Screening compound: N-{1-butyl-8-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl}-3-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0074
N-{1-butyl-8-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl}-3-chlorobenzamide

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

D042-0074

Molecular Formula

C22H21ClN4O (C22 H21 ClN4 O)

Compound Name

N-{1-butyl-8-methyl-1H-pyrazolo[3,4-b]quinolin-3-yl}-3-chlorobenzamide

IUPAC name

N-{1-butyl-8-methyl-1H-pyrazolo[34-b]quinolin-3-yl}-3-chlorobenzamide

SMILES

CCCCn(c1nc2c(C)cccc2cc11)nc1NC(c1cccc(Cl)c1)=O

InChI

InChI=1S/C22H21ClN4O/c1-3-4-11-27-21-18(13-15-8-5-7-14(2)19(15)24-21)20(26-27)25-22(28)16-9-6-10-17(23)12-16/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,26,28)

InChI Key

IDWHILMZJKAYCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06610981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.599

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-6.15

Polar Surface Area

47.387

Acid Dissociation Constant (pKa)

5.97

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D042-0074 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D042-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0074?
Check Price and Availability of D042-0074, 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 D042-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0074
  • 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 D042-0074 available by request