4964-3825 Screening compound: 1-(4-FLUOROBENZENESULFONYL)-4-[(3-PHENOXYPHENYL)METHYL]PIPERAZINE

4964-3825 Screening compound: 1-(4-FLUOROBENZENESULFONYL)-4-[(3-PHENOXYPHENYL)METHYL]PIPERAZINE
4964-3825 Screening compound: 1-(4-FLUOROBENZENESULFONYL)-4-[(3-PHENOXYPHENYL)METHYL]PIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4964-3825
1-(4-FLUOROBENZENESULFONYL)-4-[(3-PHENOXYPHENYL)METHYL]PIPERAZINE

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

4964-3825

Molecular Formula

C23H23FN2O3S (C23 H23 FN2 O3 S)

Compound Name

1-(4-FLUOROBENZENESULFONYL)-4-[(3-PHENOXYPHENYL)METHYL]PIPERAZINE

IUPAC name

n/a

SMILES

O=S(c(cc1)ccc1F)(N1CCN(Cc2cc(Oc3ccccc3)ccc2)CC1)=O

InChI

InChI=1S/C23H23FN2O3S/c24-20-9-11-23(12-10-20)30(27,28)26-15-13-25(14-16-26)18-19-5-4-8-22(17-19)29-21-6-2-1-3-7-21/h1-12,17H,13-16,18H2

InChI Key

HBUCLFMAFWFRFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02816439

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

426.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.397

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.40

Polar Surface Area

42.238

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

4964-3825 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4964-3825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4964-3825?
Check Price and Availability of 4964-3825, 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 4964-3825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4964-3825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4964-3825
  • 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 4964-3825 available by request