H010-0052 Screening compound: 6,7-dimethoxy-3-[4-methoxy-9-(4-methoxyphenyl)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one

H010-0052 Screening compound: 6,7-dimethoxy-3-[4-methoxy-9-(4-methoxyphenyl)-6-methyl-2H,5H,6H,7H,8H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-1,3-dihydro-2-benzofuran-1-one
H010-0052 Screening compound: 6,7-dimethoxy-3-[4-methoxy-9-(4-methoxyphenyl)-6-methyl-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 H010-0052
6,7-dimethoxy-3-[4-methoxy-9-(4-methoxyphenyl)-6-methyl-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

H010-0052

Molecular Formula

C29H29NO8 (C29 H29 NO8)

Compound Name

6,7-dimethoxy-3-[4-methoxy-9-(4-methoxyphenyl)-6-methyl-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(c2c3OCO2)-c(cc2)ccc2OC)[C@@H]([C@H](c(c2c4OC)ccc4OC)OC2=O)c1c3OC

InChI

InChI=1S/C29H29NO8/c1-30-13-12-17-20(15-6-8-16(32-2)9-7-15)27-28(37-14-36-27)26(35-5)21(17)23(30)24-18-10-11-19(33-3)25(34-4)22(18)29(31)38-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24-/m1/s1

InChI Key

JVROIIDKCBXIGB-DNQXCXABSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.344

Distribution Coefficient, logD

4.343

Water Solubility, LogSw

-4.45

Polar Surface Area

71.725

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

H010-0052 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with H010-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0052?
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What is the minimum amount of H010-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0052
  • 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 H010-0052 available by request