5400-0865 Screening compound: 4-(2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide

5400-0865 Screening compound: 4-(2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide
5400-0865 Screening compound: 4-(2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5400-0865
4-(2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide

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

5400-0865

Molecular Formula

C19H17ClN6O2S (C19 H17 ClN6 O2 S)

Compound Name

4-(2-{[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide

IUPAC name

4-(2-{[1-(4-chlorophenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]amino}ethyl)benzene-1-sulfonamide

SMILES

NS(c1ccc(CCNc2c(cnn3-c(cc4)ccc4Cl)c3ncn2)cc1)(=O)=O

InChI

InChI=1S/C19H17ClN6O2S/c20-14-3-5-15(6-4-14)26-19-17(11-25-26)18(23-12-24-19)22-10-9-13-1-7-16(8-2-13)29(21,27)28/h1-8,11-12H,9-10H2,(H2,21,27,28)(H,22,23,24)

InChI Key

FMPCHKMCZQCZOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03132026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.950

Distribution Coefficient, logD

2.949

Water Solubility, LogSw

-3.48

Polar Surface Area

95.794

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5400-0865 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5400-0865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5400-0865?
Check Price and Availability of 5400-0865, 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 5400-0865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5400-0865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5400-0865
  • 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 5400-0865 available by request