1080-0656 Screening compound: 6,7-dimethoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one

1080-0656 Screening compound: 6,7-dimethoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one
1080-0656 Screening compound: 6,7-dimethoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1080-0656
6,7-dimethoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-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

1080-0656

Molecular Formula

C19H18O5 (C19 H18 O5)

Compound Name

6,7-dimethoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1,3-dihydro-2-benzofuran-1-one

IUPAC name

67-dimethoxy-3-[2-(4-methylphenyl)-2-oxoethyl]-13-dihydro-2-benzofuran-1-one

SMILES

Cc(cc1)ccc1C(CC(c(c1c2OC)ccc2OC)OC1=O)=O

InChI

InChI=1S/C19H18O5/c1-11-4-6-12(7-5-11)14(20)10-16-13-8-9-15(22-2)18(23-3)17(13)19(21)24-16/h4-9,16H,10H2,1-3H3/t16-/m1/s1

InChI Key

MBAXPRWCXXEWDS-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00721622

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.24

Polar Surface Area

50.610

Acid Dissociation Constant (pKa)

20.22

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

1080-0656 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1080-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1080-0656?
Check Price and Availability of 1080-0656, 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 1080-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1080-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1080-0656
  • 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 1080-0656 available by request