Y050-1264 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethyl4-fluorobenzenesulfonamido)acetamide

Y050-1264 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethyl4-fluorobenzenesulfonamido)acetamide
Y050-1264 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethyl4-fluorobenzenesulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1264
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethyl4-fluorobenzenesulfonamido)acetamide

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

Y050-1264

Molecular Formula

C18H19FN2O5S (C18 H19 FN2 O5 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(N-ethyl4-fluorobenzenesulfonamido)acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(N-ethyl4-fluorobenzenesulfonamido)acetamide

SMILES

CCN(CC(Nc(cc1)cc2c1OCCO2)=O)S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C18H19FN2O5S/c1-2-21(27(23,24)15-6-3-13(19)4-7-15)12-18(22)20-14-5-8-16-17(11-14)26-10-9-25-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,22)

InChI Key

AOMOKXXNAFSOIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06753155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.937

Distribution Coefficient, logD

1.937

Water Solubility, LogSw

-3.00

Polar Surface Area

70.311

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y050-1264 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

SH2 Library (10483 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y050-1264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1264?
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What is the minimum amount of Y050-1264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1264
  • 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 Y050-1264 available by request