4237-0557 Screening compound: 2-(4-chlorophenyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine

4237-0557 Screening compound: 2-(4-chlorophenyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine
4237-0557 Screening compound: 2-(4-chlorophenyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4237-0557
2-(4-chlorophenyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine

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

4237-0557

Molecular Formula

C21H18ClN3O (C21 H18 ClN3 O)

Compound Name

2-(4-chlorophenyl)-4-piperidino[1]benzofuro[3,2-d]pyrimidine

IUPAC name

4-(4-chlorophenyl)-6-(piperidin-1-yl)-8-oxa-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene

SMILES

Clc(cc1)ccc1-c1nc(N2CCCCC2)c2oc(cccc3)c3c2n1

InChI

InChI=1S/C21H18ClN3O/c22-15-10-8-14(9-11-15)20-23-18-16-6-2-3-7-17(16)26-19(18)21(24-20)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-13H2

InChI Key

WQDHJJIGUHPVNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01872129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.826

Distribution Coefficient, logD

6.605

Water Solubility, LogSw

-6.80

Polar Surface Area

30.828

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4237-0557 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4237-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4237-0557?
Check Price and Availability of 4237-0557, 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 4237-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4237-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4237-0557
  • 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 4237-0557 available by request