Y040-2196 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

Y040-2196 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one
Y040-2196 Screening compound: 3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2196
3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

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

Y040-2196

Molecular Formula

C22H18O6 (C22 H18 O6)

Compound Name

3-[2-(2H-1,3-benzodioxol-5-yl)-2-oxoethoxy]-6H,7H,8H,9H,10H-cyclohexa[c]chromen-6-one

IUPAC name

3-[2-(2H-13-benzodioxol-5-yl)-2-oxoethoxy]-6H7H8H9H10H-cyclohexa[c]chromen-6-one

SMILES

O=C(COc(cc1)cc(O2)c1C(CCCC1)=C1C2=O)c(cc1)cc2c1OCO2

InChI

InChI=1S/C22H18O6/c23-18(13-5-8-19-21(9-13)27-12-26-19)11-25-14-6-7-16-15-3-1-2-4-17(15)22(24)28-20(16)10-14/h5-10H,1-4,11-12H2

InChI Key

QBANLTYDMZGBII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02057249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.40

Polar Surface Area

58.671

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y040-2196 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-2196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2196?
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What is the minimum amount of Y040-2196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2196
  • 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 Y040-2196 available by request