H010-0070 Screening compound: 3-[5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl]benzamide

H010-0070 Screening compound: 3-[5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl]benzamide
H010-0070 Screening compound: 3-[5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound H010-0070
3-[5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-4-methoxy-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl]benzamide

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

H010-0070

Molecular Formula

C29H28N2O8 (C29 H28 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

CN(CCc1c(c2c3OCO2)-c2cc(C(N)=O)ccc2)[C@@H]([C@H](c(c2c4OC)ccc4OC)OC2=O)c1c3OC

InChI

InChI=1S/C29H28N2O8/c1-31-11-10-16-19(14-6-5-7-15(12-14)28(30)32)26-27(38-13-37-26)25(36-4)20(16)22(31)23-17-8-9-18(34-2)24(35-3)21(17)29(33)39-23/h5-9,12,22-23H,10-11,13H2,1-4H3,(H2,30,32)/t22-,23-/m1/s1

InChI Key

WUEQUSLJVPAOSN-DHIUTWEWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.839

Distribution Coefficient, logD

2.837

Water Solubility, LogSw

-3.31

Polar Surface Area

98.240

Acid Dissociation Constant (pKa)

14.54

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

31.00

H010-0070 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

GABA Library (7115 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with H010-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0070?
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What is the minimum amount of H010-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0070
  • 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 H010-0070 available by request