4240-0309 Screening compound: 4-{[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol

4240-0309 Screening compound: 4-{[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol
4240-0309 Screening compound: 4-{[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4240-0309
4-{[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol

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

4240-0309

Molecular Formula

C19H23FN2O5S (C19 H23 FN2 O5 S)

Compound Name

4-{[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]methyl}-2,6-dimethoxyphenol

IUPAC name

4-{[4-(4-fluorobenzenesulfonyl)piperazin-1-yl]methyl}-26-dimethoxyphenol

SMILES

COc1cc(CN(CC2)CCN2S(c(cc2)ccc2F)(=O)=O)cc(OC)c1O

InChI

InChI=1S/C19H23FN2O5S/c1-26-17-11-14(12-18(27-2)19(17)23)13-21-7-9-22(10-8-21)28(24,25)16-5-3-15(20)4-6-16/h3-6,11-12,23H,7-10,13H2,1-2H3

InChI Key

VQYXSOXYLCMGAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736647

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.684

Distribution Coefficient, logD

0.789

Water Solubility, LogSw

-2.44

Polar Surface Area

66.230

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4240-0309 in Drug Discovery

Included in Screening Libraries

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

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4240-0309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4240-0309?
Check Price and Availability of 4240-0309, 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 4240-0309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4240-0309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4240-0309
  • 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 4240-0309 available by request