4116-0088 Screening compound: 4-{7,8-dimethoxy-1,3-diphenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol

4116-0088 Screening compound: 4-{7,8-dimethoxy-1,3-diphenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol
4116-0088 Screening compound: 4-{7,8-dimethoxy-1,3-diphenyl-3H-pyrazolo[3,4-c]isoquinolin-5-yl}-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4116-0088
4-{7,8-dimethoxy-1,3-diphenyl-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

4116-0088

Molecular Formula

C31H25N3O4 (C31 H25 N3 O4)

Compound Name

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

IUPAC name

4-{78-dimethoxy-13-diphenyl-3H-pyrazolo[34-c]isoquinolin-5-yl}-2-methoxyphenol

SMILES

COc(cc(cc1)-c2c(cc(c(OC)c3)OC)c3c(c(-c3ccccc3)nn3-c4ccccc4)c3n2)c1O

InChI

InChI=1S/C31H25N3O4/c1-36-25-16-20(14-15-24(25)35)29-23-18-27(38-3)26(37-2)17-22(23)28-30(19-10-6-4-7-11-19)33-34(31(28)32-29)21-12-8-5-9-13-21/h4-18,35H,1-3H3

InChI Key

RSESBKHKTTUWQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01409727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.56

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

5.690

Distribution Coefficient, logD

5.555

Water Solubility, LogSw

-5.98

Polar Surface Area

63.223

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

4116-0088 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4116-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4116-0088?
Check Price and Availability of 4116-0088, 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 4116-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4116-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4116-0088
  • 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 4116-0088 available by request