4116-0091 Screening compound: 4-{1-benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol

4116-0091 Screening compound: 4-{1-benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol
4116-0091 Screening compound: 4-{1-benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4116-0091
4-{1-benzyl-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

4116-0091

Molecular Formula

C32H27N3O4 (C32 H27 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(cc1)-c2c(cc(c(OC)c3)OC)c3c(c(Cc3ccccc3)nn3-c4ccccc4)c3n2)c1O

InChI

InChI=1S/C32H27N3O4/c1-37-27-17-21(14-15-26(27)36)31-24-19-29(39-3)28(38-2)18-23(24)30-25(16-20-10-6-4-7-11-20)34-35(32(30)33-31)22-12-8-5-9-13-22/h4-15,17-19,36H,16H2,1-3H3

InChI Key

DXAZEGRVNCJDJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01850525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.800

Distribution Coefficient, logD

5.759

Water Solubility, LogSw

-5.93

Polar Surface Area

63.718

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4116-0091 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 4116-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4116-0091?
Check Price and Availability of 4116-0091, 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 4116-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4116-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4116-0091
  • 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 4116-0091 available by request