E981-1749 Screening compound: 1-[1-(4-ETHYLPHENYL)-3,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBONYL]-4-(2-FLUOROPHENYL)PIPERAZINE

E981-1749 Screening compound: 1-[1-(4-ETHYLPHENYL)-3,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBONYL]-4-(2-FLUOROPHENYL)PIPERAZINE
E981-1749 Screening compound: 1-[1-(4-ETHYLPHENYL)-3,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBONYL]-4-(2-FLUOROPHENYL)PIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound E981-1749
1-[1-(4-ETHYLPHENYL)-3,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBONYL]-4-(2-FLUOROPHENYL)PIPERAZINE

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

E981-1749

Molecular Formula

C27H28FN5O (C27 H28 FN5 O)

Compound Name

1-[1-(4-ETHYLPHENYL)-3,6-DIMETHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBONYL]-4-(2-FLUOROPHENYL)PIPERAZINE

IUPAC name

1-[1-(4-ethylphenyl)-36-dimethyl-1H-pyrazolo[34-b]pyridine-4-carbonyl]-4-(2-fluorophenyl)piperazine

SMILES

CCc(cc1)ccc1-n(c1nc(C)c2)nc(C)c1c2C(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C27H28FN5O/c1-4-20-9-11-21(12-10-20)33-26-25(19(3)30-33)22(17-18(2)29-26)27(34)32-15-13-31(14-16-32)24-8-6-5-7-23(24)28/h5-12,17H,4,13-16H2,1-3H3

InChI Key

CADLKLQSGMBQGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14935155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.861

Distribution Coefficient, logD

4.860

Water Solubility, LogSw

-4.81

Polar Surface Area

43.048

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

E981-1749 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 E981-1749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E981-1749?
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What is the minimum amount of E981-1749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E981-1749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E981-1749
  • 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 E981-1749 available by request