Y040-8212 Screening compound: methyl 2-[7-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methoxy)-4-methyl-2-oxo-2H-chromen-3-yl]acetate

Y040-8212 Screening compound: methyl 2-[7-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methoxy)-4-methyl-2-oxo-2H-chromen-3-yl]acetate
Y040-8212 Screening compound: methyl 2-[7-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methoxy)-4-methyl-2-oxo-2H-chromen-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8212
methyl 2-[7-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methoxy)-4-methyl-2-oxo-2H-chromen-3-yl]acetate

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

Y040-8212

Molecular Formula

C23H21NO8 (C23 H21 NO8)

Compound Name

methyl 2-[7-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methoxy)-4-methyl-2-oxo-2H-chromen-3-yl]acetate

IUPAC name

methyl 2-[7-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methoxy)-4-methyl-2-oxo-2H-chromen-3-yl]acetate

SMILES

CC(c(ccc(OCC(NCc(cc1)cc2c1OCO2)=O)c1)c1O1)=C(CC(OC)=O)C1=O

InChI

InChI=1S/C23H21NO8/c1-13-16-5-4-15(8-19(16)32-23(27)17(13)9-22(26)28-2)29-11-21(25)24-10-14-3-6-18-20(7-14)31-12-30-18/h3-8H,9-12H2,1-2H3,(H,24,25)

InChI Key

FUSWFACGUOQHNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.380

Distribution Coefficient, logD

2.380

Water Solubility, LogSw

-2.97

Polar Surface Area

90.554

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

Y040-8212 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y040-8212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8212?
Check Price and Availability of Y040-8212, 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 Y040-8212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8212
  • 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 Y040-8212 available by request