Y050-2209 Screening compound: 1-(3-chloro-4-ethoxybenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide

Y050-2209 Screening compound: 1-(3-chloro-4-ethoxybenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide
Y050-2209 Screening compound: 1-(3-chloro-4-ethoxybenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-2209
1-(3-chloro-4-ethoxybenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide

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

Y050-2209

Molecular Formula

C22H25ClN2O6S (C22 H25 ClN2 O6 S)

Compound Name

1-(3-chloro-4-ethoxybenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-3-carboxamide

IUPAC name

1-(3-chloro-4-ethoxybenzenesulfonyl)-N-(23-dihydro-14-benzodioxin-6-yl)piperidine-3-carboxamide

SMILES

CCOc(ccc(S(N(CCC1)CC1C(Nc(cc1)cc2c1OCCO2)=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C22H25ClN2O6S/c1-2-29-19-8-6-17(13-18(19)23)32(27,28)25-9-3-4-15(14-25)22(26)24-16-5-7-20-21(12-16)31-11-10-30-20/h5-8,12-13,15H,2-4,9-11,14H2,1H3,(H,24,26)/t15-/m0/s1

InChI Key

YULPFEHBKRQDRT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD07398810

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.232

Distribution Coefficient, logD

2.231

Water Solubility, LogSw

-3.37

Polar Surface Area

78.007

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

Y050-2209 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y050-2209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-2209?
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What is the minimum amount of Y050-2209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-2209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-2209
  • 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 Y050-2209 available by request