5163-0064 Screening compound: 1,14-diethyl-3,12-diazatetracyclo[10.3.1.1~3,14~.0~5,10~]heptadeca-5(10),6,8-triene-4,11,15-trione

5163-0064 Screening compound: 1,14-diethyl-3,12-diazatetracyclo[10.3.1.1~3,14~.0~5,10~]heptadeca-5(10),6,8-triene-4,11,15-trione
5163-0064 Screening compound: 1,14-diethyl-3,12-diazatetracyclo[10.3.1.1~3,14~.0~5,10~]heptadeca-5(10),6,8-triene-4,11,15-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5163-0064
1,14-diethyl-3,12-diazatetracyclo[10.3.1.1~3,14~.0~5,10~]heptadeca-5(10),6,8-triene-4,11,15-trione

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

5163-0064

Molecular Formula

C19H22N2O3 (C19 H22 N2 O3)

Compound Name

1,14-diethyl-3,12-diazatetracyclo[10.3.1.1~3,14~.0~5,10~]heptadeca-5(10),6,8-triene-4,11,15-trione

IUPAC name

114-diethyl-312-diazatetracyclo[10.3.1.1^{314}.0^{510}]heptadeca-5(10)68-triene-41115-trione

SMILES

CCC(CN(CC1(CC)C2)C(c3c4cccc3)=O)(CN2C4=O)C1=O

InChI

InChI=1S/C19H22N2O3/c1-3-18-9-20-11-19(4-2,17(18)24)12-21(10-18)16(23)14-8-6-5-7-13(14)15(20)22/h5-8H,3-4,9-12H2,1-2H3

InChI Key

AGHOSPMNWRCWBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02925119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.803

Distribution Coefficient, logD

1.803

Water Solubility, LogSw

-2.64

Polar Surface Area

46.549

Acid Dissociation Constant (pKa)

28.59

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

5163-0064 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5163-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 5163-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5163-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5163-0064
  • 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 5163-0064 available by request