Y050-2106 Screening compound: 2-[2-methyl-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenoxy]-N-[(pyridin-3-yl)methyl]acetamide

Y050-2106 Screening compound: 2-[2-methyl-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenoxy]-N-[(pyridin-3-yl)methyl]acetamide
Y050-2106 Screening compound: 2-[2-methyl-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenoxy]-N-[(pyridin-3-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-2106
2-[2-methyl-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenoxy]-N-[(pyridin-3-yl)methyl]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

Y050-2106

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

2-[2-methyl-4-(1,2,3,4-tetrahydroquinoline-1-sulfonyl)phenoxy]-N-[(pyridin-3-yl)methyl]acetamide

IUPAC name

2-[2-methyl-4-(1234-tetrahydroquinoline-1-sulfonyl)phenoxy]-N-[(pyridin-3-yl)methyl]acetamide

SMILES

Cc(cc(cc1)S(N(CCC2)c3c2cccc3)(=O)=O)c1OCC(NCc1cnccc1)=O

InChI

InChI=1S/C24H25N3O4S/c1-18-14-21(32(29,30)27-13-5-8-20-7-2-3-9-22(20)27)10-11-23(18)31-17-24(28)26-16-19-6-4-12-25-15-19/h2-4,6-7,9-12,14-15H,5,8,13,16-17H2,1H3,(H,26,28)

InChI Key

CCYBMOXKVZWTPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07398707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.925

Water Solubility, LogSw

-3.31

Polar Surface Area

72.694

Acid Dissociation Constant (pKa)

13.95

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y050-2106 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y050-2106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-2106?
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What is the minimum amount of Y050-2106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-2106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-2106
  • 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 Y050-2106 available by request