H025-3198C Screening compound: N-methyl-N-[2-(phenylsulfonyl)-5-piperazinophenyl]amine

H025-3198C Screening compound: N-methyl-N-[2-(phenylsulfonyl)-5-piperazinophenyl]amine
H025-3198C Screening compound: N-methyl-N-[2-(phenylsulfonyl)-5-piperazinophenyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3198C
N-methyl-N-[2-(phenylsulfonyl)-5-piperazinophenyl]amine

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

H025-3198C

Molecular Formula

C17H21N3O2S (C17 H21 N3 O2 S)

Compound Name

N-methyl-N-[2-(phenylsulfonyl)-5-piperazinophenyl]amine

IUPAC name

2-(benzenesulfonyl)-N-methyl-5-(piperazin-1-yl)aniline

SMILES

CNc(cc(cc1)N2CCNCC2)c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C17H21N3O2S/c1-18-16-13-14(20-11-9-19-10-12-20)7-8-17(16)23(21,22)15-5-3-2-4-6-15/h2-8,13,18-19H,9-12H2,1H3

InChI Key

MCKGWHFGLJPYOL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.697

Distribution Coefficient, logD

0.370

Water Solubility, LogSw

-2.49

Polar Surface Area

55.111

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

8.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

H025-3198C in Drug Discovery

Included in Screening Libraries

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

CNS Annotated Library (688 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H025-3198C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3198C?
Check Price and Availability of H025-3198C, 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 H025-3198C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3198C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3198C
  • 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 H025-3198C available by request