V009-0301 Screening compound: 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(naphthalene-2-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one

V009-0301 Screening compound: 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(naphthalene-2-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one
V009-0301 Screening compound: 5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(naphthalene-2-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0301
5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(naphthalene-2-sulfonyl)piperazin-1-yl]methyl}-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

V009-0301

Molecular Formula

C29H30N2O5S (C29 H30 N2 O5 S)

Compound Name

5-[(3,5-dimethylphenyl)methoxy]-2-{[4-(naphthalene-2-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one

IUPAC name

5-[(35-dimethylphenyl)methoxy]-2-{[4-(naphthalene-2-sulfonyl)piperazin-1-yl]methyl}-4H-pyran-4-one

SMILES

Cc1cc(COC2=COC(CN(CC3)CCN3S(c3cc4ccccc4cc3)(=O)=O)=CC2=O)cc(C)c1

InChI

InChI=1S/C29H30N2O5S/c1-21-13-22(2)15-23(14-21)19-36-29-20-35-26(17-28(29)32)18-30-9-11-31(12-10-30)37(33,34)27-8-7-24-5-3-4-6-25(24)16-27/h3-8,13-17,20H,9-12,18-19H2,1-2H3

InChI Key

LFEVYDAMZDCOOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945946

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

518.63

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

5.077

Distribution Coefficient, logD

5.077

Water Solubility, LogSw

-5.54

Polar Surface Area

65.130

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

3.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

V009-0301 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V009-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0301?
Check Price and Availability of V009-0301, 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 V009-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0301
  • 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 V009-0301 available by request