E859-0091 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-(3-ethylphenyl)piperidine-4-carboxamide

E859-0091 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-(3-ethylphenyl)piperidine-4-carboxamide
E859-0091 Screening compound: 1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-(3-ethylphenyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E859-0091
1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-(3-ethylphenyl)piperidine-4-carboxamide

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

E859-0091

Molecular Formula

C27H30N6O (C27 H30 N6 O)

Compound Name

1-{3,4-dimethyl-2-phenyl-2H-pyrazolo[3,4-d]pyridazin-7-yl}-N-(3-ethylphenyl)piperidine-4-carboxamide

IUPAC name

1-{34-dimethyl-2-phenyl-2H-pyrazolo[34-d]pyridazin-7-yl}-N-(3-ethylphenyl)piperidine-4-carboxamide

SMILES

CCc1cccc(NC(C(CC2)CCN2c2nnc(C)c3c(C)n(-c4ccccc4)nc23)=O)c1

InChI

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

InChI Key

URVNMMVYFIIGQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14923597

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

4.270

Distribution Coefficient, logD

4.258

Water Solubility, LogSw

-4.40

Polar Surface Area

63.361

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E859-0091 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E859-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E859-0091?
Check Price and Availability of E859-0091, 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 E859-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E859-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E859-0091
  • 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 E859-0091 available by request