F758-0176 Screening compound: N~3~-{[1-(4-methylbenzyl)-4-piperidyl]methyl}-1-pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-yl-3-piperidinecarboxamide

F758-0176 Screening compound: N~3~-{[1-(4-methylbenzyl)-4-piperidyl]methyl}-1-pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-yl-3-piperidinecarboxamide
F758-0176 Screening compound: N~3~-{[1-(4-methylbenzyl)-4-piperidyl]methyl}-1-pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-yl-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F758-0176
N~3~-{[1-(4-methylbenzyl)-4-piperidyl]methyl}-1-pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-yl-3-piperidinecarboxamide

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

F758-0176

Molecular Formula

C30H36N6O (C30 H36 N6 O)

Compound Name

N~3~-{[1-(4-methylbenzyl)-4-piperidyl]methyl}-1-pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-yl-3-piperidinecarboxamide

IUPAC name

N-({1-[(4-methylphenyl)methyl]piperidin-4-yl}methyl)-1-{2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)357911-hexaen-7-yl}piperidine-3-carboxamide

SMILES

Cc1ccc(CN2CCC(CNC(C(CCC3)CN3c3nc4ncccc4n4c3ccc4)=O)CC2)cc1

InChI

InChI=1S/C30H36N6O/c1-22-8-10-24(11-9-22)20-34-17-12-23(13-18-34)19-32-30(37)25-5-3-15-35(21-25)29-27-7-4-16-36(27)26-6-2-14-31-28(26)33-29/h2,4,6-11,14,16,23,25H,3,5,12-13,15,17-21H2,1H3,(H,32,37)/t25-/m0/s1

InChI Key

AJJLVWWHMARNQO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14965958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.66

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.363

Distribution Coefficient, logD

1.641

Water Solubility, LogSw

-4.13

Polar Surface Area

49.612

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.30

F758-0176 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F758-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F758-0176?
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What is the minimum amount of F758-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F758-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F758-0176
  • 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 F758-0176 available by request