5847-0262 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one

5847-0262 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one
5847-0262 Screening compound: 8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5847-0262
8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one

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

5847-0262

Molecular Formula

C27H25ClN2O3 (C27 H25 ClN2 O3)

Compound Name

8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one

IUPAC name

8-[(4-benzylpiperazin-1-yl)methyl]-3-(4-chlorophenyl)-7-hydroxy-4H-chromen-4-one

SMILES

Oc(cc1)c(CN2CCN(Cc3ccccc3)CC2)c(OC=C2c(cc3)ccc3Cl)c1C2=O

InChI

InChI=1S/C27H25ClN2O3/c28-21-8-6-20(7-9-21)24-18-33-27-22(26(24)32)10-11-25(31)23(27)17-30-14-12-29(13-15-30)16-19-4-2-1-3-5-19/h1-11,18,31H,12-17H2

InChI Key

SIMYSFRVSLNZHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03786397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

4.105

Water Solubility, LogSw

-4.60

Polar Surface Area

44.365

Acid Dissociation Constant (pKa)

7.58

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5847-0262 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PLpro Library (6343 compounds)

Proline Kinase Library (2105 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with 5847-0262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5847-0262?
Check Price and Availability of 5847-0262, 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 5847-0262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5847-0262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5847-0262
  • 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 5847-0262 available by request