E760-3412 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-(4-{2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl}phenyl)ethan-1-one

E760-3412 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-(4-{2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl}phenyl)ethan-1-one
E760-3412 Screening compound: 1-(4-benzylpiperazin-1-yl)-2-(4-{2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl}phenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E760-3412
1-(4-benzylpiperazin-1-yl)-2-(4-{2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl}phenyl)ethan-1-one

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

E760-3412

Molecular Formula

C27H29N5O (C27 H29 N5 O)

Compound Name

1-(4-benzylpiperazin-1-yl)-2-(4-{2-ethyl-3H-imidazo[4,5-b]pyridin-3-yl}phenyl)ethan-1-one

IUPAC name

1-(4-benzylpiperazin-1-yl)-2-(4-{2-ethyl-3H-imidazo[45-b]pyridin-3-yl}phenyl)ethan-1-one

SMILES

CCc1nc2cccnc2n1-c1ccc(CC(N2CCN(Cc3ccccc3)CC2)=O)cc1

InChI

InChI=1S/C27H29N5O/c1-2-25-29-24-9-6-14-28-27(24)32(25)23-12-10-21(11-13-23)19-26(33)31-17-15-30(16-18-31)20-22-7-4-3-5-8-22/h3-14H,2,15-20H2,1H3

InChI Key

KBQJXINUDFRUAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14916696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.418

Water Solubility, LogSw

-3.37

Polar Surface Area

41.455

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

E760-3412 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PI3K-Targeted Library (17255 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Purinergic Library (3321 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • GPCR
  • Ion Channels
  • Kinases
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E760-3412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E760-3412?
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What is the minimum amount of E760-3412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E760-3412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E760-3412
  • 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 E760-3412 available by request