H010-0011 Screening compound: 6,7-dimethoxy-3-{4-methoxy-6-methyl-9-phenyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-1,3-dihydro-2-benzofuran-1-one

H010-0011 Screening compound: 6,7-dimethoxy-3-{4-methoxy-6-methyl-9-phenyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl}-1,3-dihydro-2-benzofuran-1-one
H010-0011 Screening compound: 6,7-dimethoxy-3-{4-methoxy-6-methyl-9-phenyl-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 H010-0011
6,7-dimethoxy-3-{4-methoxy-6-methyl-9-phenyl-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

H010-0011

Molecular Formula

C28H27NO7 (C28 H27 NO7)

Compound Name

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

IUPAC name

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

SMILES

CN(CCc1c(c2c3OCO2)-c2ccccc2)[C@@H]([C@H](c(c2c4OC)ccc4OC)OC2=O)c1c3OC

InChI

InChI=1S/C28H27NO7/c1-29-13-12-16-19(15-8-6-5-7-9-15)26-27(35-14-34-26)25(33-4)20(16)22(29)23-17-10-11-18(31-2)24(32-3)21(17)28(30)36-23/h5-11,22-23H,12-14H2,1-4H3/t22-,23-/m1/s1

InChI Key

AQPMWHZCQXTYCJ-DHIUTWEWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.52

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

4.257

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.40

Polar Surface Area

64.181

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

H010-0011 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 H010-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0011?
Check Price and Availability of H010-0011, 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 H010-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0011
  • 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 H010-0011 available by request