Y030-8080 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanamido)benzamide

Y030-8080 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanamido)benzamide
Y030-8080 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8080
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanamido)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

Y030-8080

Molecular Formula

C19H20N2O4 (C19 H20 N2 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(2-methylpropanamido)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(2-methylpropanamido)benzamide

SMILES

CC(C)C(Nc1cccc(C(NCc(cc2)cc3c2OCO3)=O)c1)=O

InChI

InChI=1S/C19H20N2O4/c1-12(2)18(22)21-15-5-3-4-14(9-15)19(23)20-10-13-6-7-16-17(8-13)25-11-24-16/h3-9,12H,10-11H2,1-2H3,(H,20,23)(H,21,22)

InChI Key

RQPGDGVREDWZAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.072

Water Solubility, LogSw

-3.27

Polar Surface Area

65.130

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

Y030-8080 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with Y030-8080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8080?
Check Price and Availability of Y030-8080, 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 Y030-8080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8080
  • 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 Y030-8080 available by request