C367-0118 Screening compound: N~7~-[2-(4-benzylpiperidino)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide

C367-0118 Screening compound: N~7~-[2-(4-benzylpiperidino)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide
C367-0118 Screening compound: N~7~-[2-(4-benzylpiperidino)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C367-0118
N~7~-[2-(4-benzylpiperidino)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-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

C367-0118

Molecular Formula

C29H32N4O2S (C29 H32 N4 O2 S)

Compound Name

N~7~-[2-(4-benzylpiperidino)ethyl]-12-oxo-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidine-7-carboxamide

IUPAC name

N-[2-(4-benzylpiperidin-1-yl)ethyl]-9-oxo-17-thia-28-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)24611(16)-pentaene-4-carboxamide

SMILES

O=C(C1=CC=CN2C1=Nc(sc1c3CCCC1)c3C2=O)NCCN1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C29H32N4O2S/c34-27(30-14-18-32-16-12-21(13-17-32)19-20-7-2-1-3-8-20)23-10-6-15-33-26(23)31-28-25(29(33)35)22-9-4-5-11-24(22)36-28/h1-3,6-8,10,15,21H,4-5,9,11-14,16-19H2,(H,30,34)

InChI Key

KMSDYFHRWIBGKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

3.093

Water Solubility, LogSw

-4.51

Polar Surface Area

52.294

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

C367-0118 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C367-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C367-0118?
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What is the minimum amount of C367-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C367-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C367-0118
  • 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 C367-0118 available by request