D042-0326 Screening compound: 3-chloro-N-{1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl}benzamide

D042-0326 Screening compound: 3-chloro-N-{1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl}benzamide
D042-0326 Screening compound: 3-chloro-N-{1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D042-0326
3-chloro-N-{1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl}benzamide

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

D042-0326

Molecular Formula

C20H17ClN4O (C20 H17 ClN4 O)

Compound Name

3-chloro-N-{1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl}benzamide

IUPAC name

3-chloro-N-{1-propyl-1H-pyrazolo[34-b]quinolin-3-yl}benzamide

SMILES

CCCn(c1nc2ccccc2cc11)nc1NC(c1cccc(Cl)c1)=O

InChI

InChI=1S/C20H17ClN4O/c1-2-10-25-19-16(12-13-6-3-4-9-17(13)22-19)18(24-25)23-20(26)14-7-5-8-15(21)11-14/h3-9,11-12H,2,10H2,1H3,(H,23,24,26)

InChI Key

VXHKXTCCKVRSEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06593650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.543

Distribution Coefficient, logD

3.097

Water Solubility, LogSw

-4.83

Polar Surface Area

46.617

Acid Dissociation Constant (pKa)

5.97

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D042-0326 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D042-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D042-0326?
Check Price and Availability of D042-0326, 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 D042-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D042-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D042-0326
  • 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 D042-0326 available by request