4116-0090 Screening compound: 4-{1-ethyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol

4116-0090 Screening compound: 4-{1-ethyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol
4116-0090 Screening compound: 4-{1-ethyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4116-0090
4-{1-ethyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol

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

4116-0090

Molecular Formula

C27H25N3O4 (C27 H25 N3 O4)

Compound Name

4-{1-ethyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol

IUPAC name

4-{1-ethyl-78-dimethoxy-3-phenyl-3H-pyrazolo[34-c]isoquinolin-5-yl}-2-methoxyphenol

SMILES

CCc(c1c(cc(c(OC)c2)OC)c2c(-c(cc2)cc(OC)c2O)nc11)nn1-c1ccccc1

InChI

InChI=1S/C27H25N3O4/c1-5-20-25-18-14-23(33-3)24(34-4)15-19(18)26(16-11-12-21(31)22(13-16)32-2)28-27(25)30(29-20)17-9-7-6-8-10-17/h6-15,31H,5H2,1-4H3

InChI Key

SSXCMCVBQHTIEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01850524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.845

Distribution Coefficient, logD

4.805

Water Solubility, LogSw

-4.68

Polar Surface Area

63.990

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 4116-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4116-0090?
Check Price and Availability of 4116-0090, 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 4116-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4116-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4116-0090
  • 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 4116-0090 available by request