H010-0075C Screening compound: 3-[9-(4-methanesulfonylphenyl)-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

H010-0075C Screening compound: 3-[9-(4-methanesulfonylphenyl)-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
H010-0075C Screening compound: 3-[9-(4-methanesulfonylphenyl)-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 H010-0075C
3-[9-(4-methanesulfonylphenyl)-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

H010-0075C

Molecular Formula

C29H29NO9S (C29 H29 NO9 S)

Compound Name

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

SMILES

CN(CCc1c(c2c3OCO2)-c(cc2)ccc2S(C)(=O)=O)[C@@H]([C@H](c(cc2)c4c(OC)c2OC)OC4=O)c1c3OC

InChI

InChI=1S/C29H29NO9S/c1-30-13-12-17-20(15-6-8-16(9-7-15)40(5,32)33)27-28(38-14-37-27)26(36-4)21(17)23(30)24-18-10-11-19(34-2)25(35-3)22(18)29(31)39-24/h6-11,23-24H,12-14H2,1-5H3/t23-,24+/m1/s1

InChI Key

FJVLYMFONYZVHC-RPWUZVMVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

567.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.179

Distribution Coefficient, logD

3.177

Water Solubility, LogSw

-3.58

Polar Surface Area

93.930

Acid Dissociation Constant (pKa)

22.28

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with H010-0075C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H010-0075C?
Check Price and Availability of H010-0075C, 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 H010-0075C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H010-0075C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H010-0075C
  • 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 H010-0075C available by request