V030-9583 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one

V030-9583 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one
V030-9583 Screening compound: 2-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9583
2-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-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

V030-9583

Molecular Formula

C23H22ClFN2O5S (C23 H22 ClFN2 O5 S)

Compound Name

2-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one

IUPAC name

2-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-5-[(4-fluorophenyl)methoxy]-4H-pyran-4-one

SMILES

O=C1C(OCc(cc2)ccc2F)=COC(CN(CC2)CCN2S(c(cc2)ccc2Cl)(=O)=O)=C1

InChI

InChI=1S/C23H22ClFN2O5S/c24-18-3-7-21(8-4-18)33(29,30)27-11-9-26(10-12-27)14-20-13-22(28)23(16-31-20)32-15-17-1-5-19(25)6-2-17/h1-8,13,16H,9-12,14-15H2

InChI Key

PYAKCPWRVGISOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945971

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.96

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.282

Distribution Coefficient, logD

3.282

Water Solubility, LogSw

-3.65

Polar Surface Area

65.402

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V030-9583 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-9583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9583?
Check Price and Availability of V030-9583, 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 V030-9583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9583
  • 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 V030-9583 available by request