Y050-1172 Screening compound: N-[(pyridin-4-yl)methyl]-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-3-carboxamide

Y050-1172 Screening compound: N-[(pyridin-4-yl)methyl]-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-3-carboxamide
Y050-1172 Screening compound: N-[(pyridin-4-yl)methyl]-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1172
N-[(pyridin-4-yl)methyl]-1-(2,4,6-trimethylbenzenesulfonyl)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

Y050-1172

Molecular Formula

C21H27N3O3S (C21 H27 N3 O3 S)

Compound Name

N-[(pyridin-4-yl)methyl]-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-3-carboxamide

IUPAC name

N-[(pyridin-4-yl)methyl]-1-(246-trimethylbenzenesulfonyl)piperidine-3-carboxamide

SMILES

Cc(cc1C)cc(C)c1S(N(CCC1)CC1C(NCc1ccncc1)=O)(=O)=O

InChI

InChI=1S/C21H27N3O3S/c1-15-11-16(2)20(17(3)12-15)28(26,27)24-10-4-5-19(14-24)21(25)23-13-18-6-8-22-9-7-18/h6-9,11-12,19H,4-5,10,13-14H2,1-3H3,(H,23,25)/t19-/m0/s1

InChI Key

PPWYBULMOJAMIX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08069892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.269

Distribution Coefficient, logD

2.265

Water Solubility, LogSw

-2.54

Polar Surface Area

65.724

Acid Dissociation Constant (pKa)

12.38

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

Y050-1172 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SmartTM Library (51161 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y050-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1172?
Check Price and Availability of Y050-1172, 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 Y050-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1172
  • 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 Y050-1172 available by request