Y300-0546 Screening compound: 1-(4-{[(4-methylpiperazin-1-yl)sulfonyl]methyl}benzoyl)-4-phenylpiperazine

Y300-0546 Screening compound: 1-(4-{[(4-methylpiperazin-1-yl)sulfonyl]methyl}benzoyl)-4-phenylpiperazine
Y300-0546 Screening compound: 1-(4-{[(4-methylpiperazin-1-yl)sulfonyl]methyl}benzoyl)-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-0546
1-(4-{[(4-methylpiperazin-1-yl)sulfonyl]methyl}benzoyl)-4-phenylpiperazine

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

Y300-0546

Molecular Formula

C23H30N4O3S (C23 H30 N4 O3 S)

Compound Name

1-(4-{[(4-methylpiperazin-1-yl)sulfonyl]methyl}benzoyl)-4-phenylpiperazine

IUPAC name

1-(4-{[(4-methylpiperazin-1-yl)sulfonyl]methyl}benzoyl)-4-phenylpiperazine

SMILES

CN(CC1)CCN1S(Cc(cc1)ccc1C(N(CC1)CCN1c1ccccc1)=O)(=O)=O

InChI

InChI=1S/C23H30N4O3S/c1-24-11-17-27(18-12-24)31(29,30)19-20-7-9-21(10-8-20)23(28)26-15-13-25(14-16-26)22-5-3-2-4-6-22/h2-10H,11-19H2,1H3

InChI Key

NEYHKMZARIHERK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19027255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.338

Distribution Coefficient, logD

1.289

Water Solubility, LogSw

-2.17

Polar Surface Area

55.229

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

Y300-0546 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with Y300-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-0546?
Check Price and Availability of Y300-0546, 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 Y300-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-0546
  • 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 Y300-0546 available by request