Y050-0577 Screening compound: 1-[1-(3-chloro-4-methoxybenzenesulfonyl)piperidine-3-carbonyl]-4-methylpiperazine

Y050-0577 Screening compound: 1-[1-(3-chloro-4-methoxybenzenesulfonyl)piperidine-3-carbonyl]-4-methylpiperazine
Y050-0577 Screening compound: 1-[1-(3-chloro-4-methoxybenzenesulfonyl)piperidine-3-carbonyl]-4-methylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0577
1-[1-(3-chloro-4-methoxybenzenesulfonyl)piperidine-3-carbonyl]-4-methylpiperazine

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

Y050-0577

Molecular Formula

C18H26ClN3O4S (C18 H26 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCN1C(C(CCC1)CN1S(c(cc1)cc(Cl)c1OC)(=O)=O)=O

InChI

InChI=1S/C18H26ClN3O4S/c1-20-8-10-21(11-9-20)18(23)14-4-3-7-22(13-14)27(24,25)15-5-6-17(26-2)16(19)12-15/h5-6,12,14H,3-4,7-11,13H2,1-2H3/t14-/m0/s1

InChI Key

LIGQDQQUJSEIQD-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06632165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.305

Distribution Coefficient, logD

0.957

Water Solubility, LogSw

-2.85

Polar Surface Area

59.638

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.10

Y050-0577 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 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 Y050-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0577?
Check Price and Availability of Y050-0577, 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 Y050-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0577
  • 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 Y050-0577 available by request