Y050-2349 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-3-[(propan-2-yl)sulfamoyl]benzamide

Y050-2349 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-3-[(propan-2-yl)sulfamoyl]benzamide
Y050-2349 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-3-[(propan-2-yl)sulfamoyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-2349
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-3-[(propan-2-yl)sulfamoyl]benzamide

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

Y050-2349

Molecular Formula

C19H22N2O6S (C19 H22 N2 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-methoxy-3-[(propan-2-yl)sulfamoyl]benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-methoxy-3-[(propan-2-yl)sulfamoyl]benzamide

SMILES

CC(C)NS(c(cc(cc1)C(NCc(cc2)cc3c2OCO3)=O)c1OC)(=O)=O

InChI

InChI=1S/C19H22N2O6S/c1-12(2)21-28(23,24)18-9-14(5-7-16(18)25-3)19(22)20-10-13-4-6-15-17(8-13)27-11-26-15/h4-9,12,21H,10-11H2,1-3H3,(H,20,22)

InChI Key

MNZGUCMBFRXPQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08684380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.319

Distribution Coefficient, logD

2.319

Water Solubility, LogSw

-2.90

Polar Surface Area

90.615

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

Y050-2349 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system

References: we are preparing a list of scientific research reports with Y050-2349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-2349?
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What is the minimum amount of Y050-2349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-2349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-2349
  • 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 Y050-2349 available by request