Y050-1187 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide

Y050-1187 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide
Y050-1187 Screening compound: 1-(2,5-dimethoxybenzenesulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1187
1-(2,5-dimethoxybenzenesulfonyl)-N-[3-(methylsulfanyl)phenyl]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

Y050-1187

Molecular Formula

C21H26N2O5S2 (C21 H26 N2 O5 S2)

Compound Name

1-(2,5-dimethoxybenzenesulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide

IUPAC name

1-(25-dimethoxybenzenesulfonyl)-N-[3-(methylsulfanyl)phenyl]piperidine-3-carboxamide

SMILES

COc(cc1)cc(S(N(CCC2)CC2C(Nc2cc(SC)ccc2)=O)(=O)=O)c1OC

InChI

InChI=1S/C21H26N2O5S2/c1-27-17-9-10-19(28-2)20(13-17)30(25,26)23-11-5-6-15(14-23)21(24)22-16-7-4-8-18(12-16)29-3/h4,7-10,12-13,15H,5-6,11,14H2,1-3H3,(H,22,24)/t15-/m0/s1

InChI Key

IIAIYZIULOHRBT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08677026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.944

Distribution Coefficient, logD

2.944

Water Solubility, LogSw

-3.59

Polar Surface Area

70.148

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

Y050-1187 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 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

References: we are preparing a list of scientific research reports with Y050-1187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1187?
Check Price and Availability of Y050-1187, 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 Y050-1187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1187
  • 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 Y050-1187 available by request