H010-0076 Screening compound: 6,7-dimethoxy-3-[4-methoxy-6-methyl-9-(thiophen-3-yl)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one

H010-0076 Screening compound: 6,7-dimethoxy-3-[4-methoxy-6-methyl-9-(thiophen-3-yl)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one
H010-0076 Screening compound: 6,7-dimethoxy-3-[4-methoxy-6-methyl-9-(thiophen-3-yl)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound H010-0076
6,7-dimethoxy-3-[4-methoxy-6-methyl-9-(thiophen-3-yl)-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-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

H010-0076

Molecular Formula

C26H25NO7S (C26 H25 NO7 S)

Compound Name

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

IUPAC name

n/a

SMILES

CN(CCc1c(-c2cscc2)c2c3OCO2)[C@@H]([C@H](c(cc2)c4c(OC)c2OC)OC4=O)c1c3OC

InChI

InChI=1S/C26H25NO7S/c1-27-9-7-14-17(13-8-10-35-11-13)24-25(33-12-32-24)23(31-4)18(14)20(27)21-15-5-6-16(29-2)22(30-3)19(15)26(28)34-21/h5-6,8,10-11,20-21H,7,9,12H2,1-4H3/t20-,21+/m1/s1

InChI Key

YLYJEFHGESIWKA-RTWAWAEBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.931

Distribution Coefficient, logD

3.930

Water Solubility, LogSw

-4.33

Polar Surface Area

65.199

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.60

H010-0076 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 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 H010-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0076?
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What is the minimum amount of H010-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0076
  • 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 H010-0076 available by request