Y032-4033 Screening compound: 2-(1,3-benzodioxol-5-yloxy)-N-[2-(trifluoromethyl)phenyl]acetamide

Y032-4033 Screening compound: 2-(1,3-benzodioxol-5-yloxy)-N-[2-(trifluoromethyl)phenyl]acetamide
Y032-4033 Screening compound: 2-(1,3-benzodioxol-5-yloxy)-N-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4033
2-(1,3-benzodioxol-5-yloxy)-N-[2-(trifluoromethyl)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

Y032-4033

Molecular Formula

C16H12F3NO4 (C16 H12 F3 NO4)

Compound Name

2-(1,3-benzodioxol-5-yloxy)-N-[2-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-(2H-13-benzodioxol-5-yloxy)-N-[2-(trifluoromethyl)phenyl]acetamide

SMILES

O=C(COc(cc1)cc2c1OCO2)Nc1c(C(F)(F)F)cccc1

InChI

InChI=1S/C16H12F3NO4/c17-16(18,19)11-3-1-2-4-12(11)20-15(21)8-22-10-5-6-13-14(7-10)24-9-23-13/h1-7H,8-9H2,(H,20,21)

InChI Key

JBAOOOASOMKUMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02759631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.307

Distribution Coefficient, logD

3.307

Water Solubility, LogSw

-3.84

Polar Surface Area

47.033

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

Y032-4033 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-4033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4033?
Check Price and Availability of Y032-4033, 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 Y032-4033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4033
  • 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 Y032-4033 available by request