Y050-0754 Screening compound: 3-methyl-4-[2-(morpholin-4-yl)-2-oxoethoxy]-N-(propan-2-yl)benzene-1-sulfonamide

Y050-0754 Screening compound: 3-methyl-4-[2-(morpholin-4-yl)-2-oxoethoxy]-N-(propan-2-yl)benzene-1-sulfonamide
Y050-0754 Screening compound: 3-methyl-4-[2-(morpholin-4-yl)-2-oxoethoxy]-N-(propan-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-0754
3-methyl-4-[2-(morpholin-4-yl)-2-oxoethoxy]-N-(propan-2-yl)benzene-1-sulfonamide

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

Y050-0754

Molecular Formula

C16H24N2O5S (C16 H24 N2 O5 S)

Compound Name

3-methyl-4-[2-(morpholin-4-yl)-2-oxoethoxy]-N-(propan-2-yl)benzene-1-sulfonamide

IUPAC name

3-methyl-4-[2-(morpholin-4-yl)-2-oxoethoxy]-N-(propan-2-yl)benzene-1-sulfonamide

SMILES

CC(C)NS(c(cc1)cc(C)c1OCC(N1CCOCC1)=O)(=O)=O

InChI

InChI=1S/C16H24N2O5S/c1-12(2)17-24(20,21)14-4-5-15(13(3)10-14)23-11-16(19)18-6-8-22-9-7-18/h4-5,10,12,17H,6-9,11H2,1-3H3

InChI Key

XKBXEYDSUPODHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06626222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.252

Distribution Coefficient, logD

1.252

Water Solubility, LogSw

-2.53

Polar Surface Area

73.071

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

Y050-0754 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y050-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-0754?
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What is the minimum amount of Y050-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-0754
  • 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 Y050-0754 available by request