4116-0068 Screening compound: 1-benzyl-7,8-dimethoxy-5-(4-methoxyphenyl)-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline

4116-0068 Screening compound: 1-benzyl-7,8-dimethoxy-5-(4-methoxyphenyl)-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline
4116-0068 Screening compound: 1-benzyl-7,8-dimethoxy-5-(4-methoxyphenyl)-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4116-0068
1-benzyl-7,8-dimethoxy-5-(4-methoxyphenyl)-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline

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

4116-0068

Molecular Formula

C32H27N3O3 (C32 H27 N3 O3)

Compound Name

1-benzyl-7,8-dimethoxy-5-(4-methoxyphenyl)-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline

IUPAC name

1-benzyl-78-dimethoxy-5-(4-methoxyphenyl)-3-phenyl-3H-pyrazolo[34-c]isoquinoline

SMILES

COc(cc1)ccc1-c1c(cc(c(OC)c2)OC)c2c(c(Cc2ccccc2)nn2-c3ccccc3)c2n1

InChI

InChI=1S/C32H27N3O3/c1-36-24-16-14-22(15-17-24)31-26-20-29(38-3)28(37-2)19-25(26)30-27(18-21-10-6-4-7-11-21)34-35(32(30)33-31)23-12-8-5-9-13-23/h4-17,19-20H,18H2,1-3H3

InChI Key

PNXKUIFUPVCBLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01850518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.489

Distribution Coefficient, logD

6.488

Water Solubility, LogSw

-6.21

Polar Surface Area

47.083

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4116-0068 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 4116-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4116-0068?
Check Price and Availability of 4116-0068, 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 4116-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4116-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4116-0068
  • 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 4116-0068 available by request