H010-0064C Screening compound: 3-[9-(1-benzofuran-2-yl)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one

H010-0064C Screening compound: 3-[9-(1-benzofuran-2-yl)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one
H010-0064C Screening compound: 3-[9-(1-benzofuran-2-yl)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound H010-0064C
3-[9-(1-benzofuran-2-yl)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-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

H010-0064C

Molecular Formula

C30H27NO8 (C30 H27 NO8)

Compound Name

3-[9-(1-benzofuran-2-yl)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6,7-dimethoxy-1,3-dihydro-2-benzofuran-1-one

IUPAC name

(3S)-3-[(5R)-9-(1-benzofuran-2-yl)-4-methoxy-6-methyl-2H5H6H7H8H-[13]dioxolo[45-g]isoquinolin-5-yl]-67-dimethoxy-13-dihydro-2-benzofuran-1-one

SMILES

CN(CCc1c(-c2cc(cccc3)c3o2)c2c3OCO2)[C@@H]([C@H](c(c2c4OC)ccc4OC)OC2=O)c1c3OC

InChI

InChI=1S/C30H27NO8/c1-31-12-11-16-21(20-13-15-7-5-6-8-18(15)38-20)28-29(37-14-36-28)27(35-4)22(16)24(31)25-17-9-10-19(33-2)26(34-3)23(17)30(32)39-25/h5-10,13,24-25H,11-12,14H2,1-4H3/t24-,25-/m1/s1

InChI Key

SOSGBAJUTXIFPR-JWQCQUIFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

529.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.991

Distribution Coefficient, logD

4.986

Water Solubility, LogSw

-5.28

Polar Surface Area

72.474

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

H010-0064C in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with H010-0064C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0064C?
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What is the minimum amount of H010-0064C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0064C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0064C
  • 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 H010-0064C available by request