Y050-1222 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxy-3-methylbenzenesulfonamido)propanamide

Y050-1222 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxy-3-methylbenzenesulfonamido)propanamide
Y050-1222 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxy-3-methylbenzenesulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-1222
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxy-3-methylbenzenesulfonamido)propanamide

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

Y050-1222

Molecular Formula

C19H22N2O6S (C19 H22 N2 O6 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-methoxy-3-methylbenzenesulfonamido)propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(4-methoxy-3-methylbenzenesulfonamido)propanamide

SMILES

CC(C(NCc(cc1)cc2c1OCO2)=O)NS(c(cc1)cc(C)c1OC)(=O)=O

InChI

InChI=1S/C19H22N2O6S/c1-12-8-15(5-7-16(12)25-3)28(23,24)21-13(2)19(22)20-10-14-4-6-17-18(9-14)27-11-26-17/h4-9,13,21H,10-11H2,1-3H3,(H,20,22)/t13-/m0/s1

InChI Key

VRPFBERXWSWILB-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD07395552

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

2.332

Distribution Coefficient, logD

2.332

Water Solubility, LogSw

-2.79

Polar Surface Area

90.804

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

Y050-1222 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y050-1222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-1222?
Check Price and Availability of Y050-1222, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y050-1222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-1222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-1222
  • 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 Y050-1222 available by request