E981-1008 Screening compound: 1-(3-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

E981-1008 Screening compound: 1-(3-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
E981-1008 Screening compound: 1-(3-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1008
1-(3-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,6-dimethyl-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

E981-1008

Molecular Formula

C23H20ClFN4O (C23 H20 ClFN4 O)

Compound Name

1-(3-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

IUPAC name

1-(3-chloro-2-methylphenyl)-N-[(4-fluorophenyl)methyl]-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carboxamide

SMILES

Cc(c(c1nc(C)c2)c2C(NCc(cc2)ccc2F)=O)nn1-c1cccc(Cl)c1C

InChI

InChI=1S/C23H20ClFN4O/c1-13-11-18(23(30)26-12-16-7-9-17(25)10-8-16)21-15(3)28-29(22(21)27-13)20-6-4-5-19(24)14(20)2/h4-11H,12H2,1-3H3,(H,26,30)

InChI Key

UQMLIAFKXNIXHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14934965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.919

Distribution Coefficient, logD

4.918

Water Solubility, LogSw

-4.91

Polar Surface Area

47.553

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

E981-1008 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

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 E981-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1008?
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What is the minimum amount of E981-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1008
  • 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 E981-1008 available by request