E981-1390 Screening compound: 1-(3-fluorophenyl)-3,6-dimethyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1390 Screening compound: 1-(3-fluorophenyl)-3,6-dimethyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1390 Screening compound: 1-(3-fluorophenyl)-3,6-dimethyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1390
1-(3-fluorophenyl)-3,6-dimethyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1H-pyrazolo[3,4-b]pyridine-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

E981-1390

Molecular Formula

C24H23FN4OS (C24 H23 FN4 OS)

Compound Name

1-(3-fluorophenyl)-3,6-dimethyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

1-(3-fluorophenyl)-36-dimethyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(NCCc(cc2)ccc2SC)=O)nn1-c1cc(F)ccc1

InChI

InChI=1S/C24H23FN4OS/c1-15-13-21(24(30)26-12-11-17-7-9-20(31-3)10-8-17)22-16(2)28-29(23(22)27-15)19-6-4-5-18(25)14-19/h4-10,13-14H,11-12H2,1-3H3,(H,26,30)

InChI Key

YORQPQQVVVXLAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.581

Distribution Coefficient, logD

4.581

Water Solubility, LogSw

-4.53

Polar Surface Area

47.695

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

E981-1390 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Selective Target Activity Profiling Library (14702 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
  • Receptor's ligands
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E981-1390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1390?
Check Price and Availability of E981-1390, 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 E981-1390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1390
  • 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 E981-1390 available by request