Y050-0579 Screening compound: 1-[1-(3-chloro-4-methoxybenzenesulfonyl)piperidine-3-carbonyl]-4-phenylpiperazine

Y050-0579 Screening compound: 1-[1-(3-chloro-4-methoxybenzenesulfonyl)piperidine-3-carbonyl]-4-phenylpiperazine
Y050-0579 Screening compound: 1-[1-(3-chloro-4-methoxybenzenesulfonyl)piperidine-3-carbonyl]-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0579
1-[1-(3-chloro-4-methoxybenzenesulfonyl)piperidine-3-carbonyl]-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

Y050-0579

Molecular Formula

C23H28ClN3O4S (C23 H28 ClN3 O4 S)

Compound Name

1-[1-(3-chloro-4-methoxybenzenesulfonyl)piperidine-3-carbonyl]-4-phenylpiperazine

IUPAC name

1-[1-(3-chloro-4-methoxybenzenesulfonyl)piperidine-3-carbonyl]-4-phenylpiperazine

SMILES

COc(ccc(S(N(CCC1)CC1C(N(CC1)CCN1c1ccccc1)=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C23H28ClN3O4S/c1-31-22-10-9-20(16-21(22)24)32(29,30)27-11-5-6-18(17-27)23(28)26-14-12-25(13-15-26)19-7-3-2-4-8-19/h2-4,7-10,16,18H,5-6,11-15,17H2,1H3

InChI Key

QSLQAUHGKCUUDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06627003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.01

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

3.122

Distribution Coefficient, logD

3.122

Water Solubility, LogSw

-3.39

Polar Surface Area

59.422

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

Y050-0579 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with Y050-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0579?
Check Price and Availability of Y050-0579, 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 Y050-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0579
  • 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 Y050-0579 available by request