Y050-2172 Screening compound: 2-[2-methyl-4-(morpholine-4-sulfonyl)phenoxy]-N-[3-(methylsulfanyl)phenyl]acetamide

Y050-2172 Screening compound: 2-[2-methyl-4-(morpholine-4-sulfonyl)phenoxy]-N-[3-(methylsulfanyl)phenyl]acetamide
Y050-2172 Screening compound: 2-[2-methyl-4-(morpholine-4-sulfonyl)phenoxy]-N-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-2172
2-[2-methyl-4-(morpholine-4-sulfonyl)phenoxy]-N-[3-(methylsulfanyl)phenyl]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

Y050-2172

Molecular Formula

C20H24N2O5S2 (C20 H24 N2 O5 S2)

Compound Name

2-[2-methyl-4-(morpholine-4-sulfonyl)phenoxy]-N-[3-(methylsulfanyl)phenyl]acetamide

IUPAC name

2-[2-methyl-4-(morpholine-4-sulfonyl)phenoxy]-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

Cc(cc(cc1)S(N2CCOCC2)(=O)=O)c1OCC(Nc1cc(SC)ccc1)=O

InChI

InChI=1S/C20H24N2O5S2/c1-15-12-18(29(24,25)22-8-10-26-11-9-22)6-7-19(15)27-14-20(23)21-16-4-3-5-17(13-16)28-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,21,23)

InChI Key

BZXJVXYXBYTQNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07398771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

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

3.302

Distribution Coefficient, logD

3.302

Water Solubility, LogSw

-3.62

Polar Surface Area

70.321

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

Y050-2172 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y050-2172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-2172?
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What is the minimum amount of Y050-2172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-2172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-2172
  • 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 Y050-2172 available by request