Y050-1174 Screening compound: N-(2-methoxyphenyl)-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-3-carboxamide

Y050-1174 Screening compound: N-(2-methoxyphenyl)-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-3-carboxamide
Y050-1174 Screening compound: N-(2-methoxyphenyl)-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1174
N-(2-methoxyphenyl)-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

Y050-1174

Molecular Formula

C22H28N2O4S (C22 H28 N2 O4 S)

Compound Name

N-(2-methoxyphenyl)-1-(2,4,6-trimethylbenzenesulfonyl)piperidine-3-carboxamide

IUPAC name

N-(2-methoxyphenyl)-1-(246-trimethylbenzenesulfonyl)piperidine-3-carboxamide

SMILES

Cc(cc1C)cc(C)c1S(N(CCC1)CC1C(Nc(cccc1)c1OC)=O)(=O)=O

InChI

InChI=1S/C22H28N2O4S/c1-15-12-16(2)21(17(3)13-15)29(26,27)24-11-7-8-18(14-24)22(25)23-19-9-5-6-10-20(19)28-4/h5-6,9-10,12-13,18H,7-8,11,14H2,1-4H3,(H,23,25)/t18-/m0/s1

InChI Key

ZOLBRCNSANUNFS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07360447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

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

3.988

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-3.99

Polar Surface Area

61.907

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

Y050-1174 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y050-1174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1174?
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What is the minimum amount of Y050-1174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1174
  • 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 Y050-1174 available by request