8012-9191 Screening compound: 5-(pyridin-2-yl)-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

8012-9191 Screening compound: 5-(pyridin-2-yl)-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one
8012-9191 Screening compound: 5-(pyridin-2-yl)-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9191
5-(pyridin-2-yl)-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-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

8012-9191

Molecular Formula

C21H17N3O (C21 H17 N3 O)

Compound Name

5-(pyridin-2-yl)-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

IUPAC name

5-(pyridin-2-yl)-5678910-hexahydro-110-diazatetraphen-6-one

SMILES

O=C(CCC1)C(C2c3ncccc3)=C1Nc1c2c2cccnc2cc1

InChI

InChI=1S/C21H17N3O/c25-18-8-3-7-16-20(18)21(15-6-1-2-11-23-15)19-13-5-4-12-22-14(13)9-10-17(19)24-16/h1-2,4-6,9-12,21,24H,3,7-8H2/t21-/m0/s1

InChI Key

FXRXACSTZZSUAJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03307845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.943

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.30

Polar Surface Area

42.080

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8012-9191 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8012-9191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9191?
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What is the minimum amount of 8012-9191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9191
  • 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 8012-9191 available by request