5607-0104 Screening compound: 1-[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine

5607-0104 Screening compound: 1-[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine
5607-0104 Screening compound: 1-[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5607-0104
1-[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)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

5607-0104

Molecular Formula

C22H28ClN3O3S (C22 H28 ClN3 O3 S)

Compound Name

1-[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine

IUPAC name

1-[1-(4-chlorobenzenesulfonyl)piperidin-4-yl]-4-(2-methoxyphenyl)piperazine

SMILES

COc(cccc1)c1N(CC1)CCN1C(CC1)CCN1S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C22H28ClN3O3S/c1-29-22-5-3-2-4-21(22)25-16-14-24(15-17-25)19-10-12-26(13-11-19)30(27,28)20-8-6-18(23)7-9-20/h2-9,19H,10-17H2,1H3

InChI Key

YWNCSRVWEIBFHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03300209

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

450

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.130

Distribution Coefficient, logD

3.918

Water Solubility, LogSw

-4.47

Polar Surface Area

45.633

Acid Dissociation Constant (pKa)

28.06

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

5607-0104 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5607-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5607-0104?
Check Price and Availability of 5607-0104, 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 5607-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5607-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5607-0104
  • 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 5607-0104 available by request