H010-0071 Screening compound: 3-[9-(isoquinolin-4-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

H010-0071 Screening compound: 3-[9-(isoquinolin-4-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
H010-0071 Screening compound: 3-[9-(isoquinolin-4-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 H010-0071
3-[9-(isoquinolin-4-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

H010-0071

Molecular Formula

C31H28N2O7 (C31 H28 N2 O7)

Compound Name

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

SMILES

CN(CCc1c(c2c3OCO2)-c2cncc4ccccc24)[C@@H]([C@H](c(c2c4OC)ccc4OC)OC2=O)c1c3OC

InChI

InChI=1S/C31H28N2O7/c1-33-12-11-18-22(20-14-32-13-16-7-5-6-8-17(16)20)29-30(39-15-38-29)28(37-4)23(18)25(33)26-19-9-10-21(35-2)27(36-3)24(19)31(34)40-26/h5-10,13-14,25-26H,11-12,15H2,1-4H3/t25-,26-/m1/s1

InChI Key

HVAAYMKUDJGHCD-CLJLJLNGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.57

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

4.289

Distribution Coefficient, logD

4.064

Water Solubility, LogSw

-4.32

Polar Surface Area

73.517

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.00

H010-0071 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with H010-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0071?
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What is the minimum amount of H010-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0071
  • 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 H010-0071 available by request