Y042-0799 Screening compound: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyl-7H-furo[3,2-g]chromen-7-one

Y042-0799 Screening compound: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyl-7H-furo[3,2-g]chromen-7-one
Y042-0799 Screening compound: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyl-7H-furo[3,2-g]chromen-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-0799
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyl-7H-furo[3,2-g]chromen-7-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

Y042-0799

Molecular Formula

C22H18O5 (C22 H18 O5)

Compound Name

3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-ethyl-7H-furo[3,2-g]chromen-7-one

IUPAC name

3-(34-dihydro-2H-15-benzodioxepin-7-yl)-5-ethyl-7H-furo[32-g]chromen-7-one

SMILES

CCC(c(cc(c(-c(cc1)cc2c1OCCCO2)co1)c1c1)c1O1)=CC1=O

InChI

InChI=1S/C22H18O5/c1-2-13-9-22(23)27-20-11-19-16(10-15(13)20)17(12-26-19)14-4-5-18-21(8-14)25-7-3-6-24-18/h4-5,8-12H,2-3,6-7H2,1H3

InChI Key

HIGBGNYARUCWID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27959924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.003

Distribution Coefficient, logD

4.003

Water Solubility, LogSw

-4.23

Polar Surface Area

46.088

Acid Dissociation Constant (pKa)

27.33

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

Y042-0799 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y042-0799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-0799?
Check Price and Availability of Y042-0799, 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 Y042-0799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-0799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-0799
  • 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 Y042-0799 available by request