C367-0113 Screening compound: 7-[(4-methylpiperidino)carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one

C367-0113 Screening compound: 7-[(4-methylpiperidino)carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one
C367-0113 Screening compound: 7-[(4-methylpiperidino)carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C367-0113
7-[(4-methylpiperidino)carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-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

C367-0113

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

7-[(4-methylpiperidino)carbonyl]-1,2,3,4-tetrahydro-12H-[1]benzothieno[2,3-d]pyrido[1,2-a]pyrimidin-12-one

IUPAC name

4-(4-methylpiperidine-1-carbonyl)-17-thia-28-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)24611(16)-pentaen-9-one

SMILES

CC(CC1)CCN1C(C1=CC=CN2C1=Nc(sc1c3CCCC1)c3C2=O)=O

InChI

InChI=1S/C21H23N3O2S/c1-13-8-11-23(12-9-13)20(25)15-6-4-10-24-18(15)22-19-17(21(24)26)14-5-2-3-7-16(14)27-19/h4,6,10,13H,2-3,5,7-9,11-12H2,1H3

InChI Key

RRATXYXBRZUOFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09874098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.58

Polar Surface Area

40.976

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

C367-0113 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C367-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C367-0113?
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What is the minimum amount of C367-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C367-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C367-0113
  • 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 C367-0113 available by request