Y050-2136 Screening compound: 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-3-methyl-N-propylbenzene-1-sulfonamide

Y050-2136 Screening compound: 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-3-methyl-N-propylbenzene-1-sulfonamide
Y050-2136 Screening compound: 4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-3-methyl-N-propylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-2136
4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-3-methyl-N-propylbenzene-1-sulfonamide

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

Y050-2136

Molecular Formula

C24H31N3O6S (C24 H31 N3 O6 S)

Compound Name

4-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-3-methyl-N-propylbenzene-1-sulfonamide

IUPAC name

4-(2-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethoxy)-3-methyl-N-propylbenzene-1-sulfonamide

SMILES

CCCNS(c(cc1)cc(C)c1OCC(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)(=O)=O

InChI

InChI=1S/C24H31N3O6S/c1-3-8-25-34(29,30)20-5-7-21(18(2)13-20)31-16-24(28)27-11-9-26(10-12-27)15-19-4-6-22-23(14-19)33-17-32-22/h4-7,13-14,25H,3,8-12,15-17H2,1-2H3

InChI Key

IKGLSJKGJYVMGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07398732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.514

Water Solubility, LogSw

-3.34

Polar Surface Area

86.472

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

Y050-2136 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

MCL1 Targeted Library (12200 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y050-2136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-2136?
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What is the minimum amount of Y050-2136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-2136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-2136
  • 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 Y050-2136 available by request