E859-1768 Screening compound: 1-(3,4-DIMETHYL-2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZIN-7-YL)-N-(4-ETHYLPHENYL)-3-PIPERIDINECARBOXAMIDE

E859-1768 Screening compound: 1-(3,4-DIMETHYL-2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZIN-7-YL)-N-(4-ETHYLPHENYL)-3-PIPERIDINECARBOXAMIDE
E859-1768 Screening compound: 1-(3,4-DIMETHYL-2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZIN-7-YL)-N-(4-ETHYLPHENYL)-3-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound E859-1768
1-(3,4-DIMETHYL-2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZIN-7-YL)-N-(4-ETHYLPHENYL)-3-PIPERIDINECARBOXAMIDE

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

E859-1768

Molecular Formula

C27H30N6O (C27 H30 N6 O)

Compound Name

1-(3,4-DIMETHYL-2-PHENYL-2H-PYRAZOLO[3,4-D]PYRIDAZIN-7-YL)-N-(4-ETHYLPHENYL)-3-PIPERIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

CCc(cc1)ccc1NC(C(CCC1)CN1c1nnc(C)c2c(C)n(-c3ccccc3)nc12)=O

InChI

InChI=1S/C27H30N6O/c1-4-20-12-14-22(15-13-20)28-27(34)21-9-8-16-32(17-21)26-25-24(18(2)29-30-26)19(3)33(31-25)23-10-6-5-7-11-23/h5-7,10-15,21H,4,8-9,16-17H2,1-3H3,(H,28,34)/t21-/m0/s1

InChI Key

BOBSJQDMLNUMGQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14923971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.25

Polar Surface Area

63.295

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

6.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.00

E859-1768 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E859-1768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E859-1768?
Check Price and Availability of E859-1768, 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 E859-1768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E859-1768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E859-1768
  • 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 E859-1768 available by request