8013-0605 Screening compound: 5-[(2,3-dichlorophenyl)methyl]-5-[2-(pyridin-4-yl)ethyl]-1,3-diazinane-2,4,6-trione

8013-0605 Screening compound: 5-[(2,3-dichlorophenyl)methyl]-5-[2-(pyridin-4-yl)ethyl]-1,3-diazinane-2,4,6-trione
8013-0605 Screening compound: 5-[(2,3-dichlorophenyl)methyl]-5-[2-(pyridin-4-yl)ethyl]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0605
5-[(2,3-dichlorophenyl)methyl]-5-[2-(pyridin-4-yl)ethyl]-1,3-diazinane-2,4,6-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

8013-0605

Molecular Formula

C18H15Cl2N3O3 (C18 H15 Cl2 N3 O3)

Compound Name

5-[(2,3-dichlorophenyl)methyl]-5-[2-(pyridin-4-yl)ethyl]-1,3-diazinane-2,4,6-trione

IUPAC name

5-[(23-dichlorophenyl)methyl]-5-[2-(pyridin-4-yl)ethyl]-13-diazinane-246-trione

SMILES

O=C(C(CCc1ccncc1)(Cc1cccc(Cl)c1Cl)C(N1)=O)NC1=O

InChI

InChI=1S/C18H15Cl2N3O3/c19-13-3-1-2-12(14(13)20)10-18(7-4-11-5-8-21-9-6-11)15(24)22-17(26)23-16(18)25/h1-3,5-6,8-9H,4,7,10H2,(H2,22,23,24,25,26)

InChI Key

JOXKNJKGPKJTJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03067649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.24

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.291

Distribution Coefficient, logD

2.807

Water Solubility, LogSw

-3.89

Polar Surface Area

71.800

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8013-0605 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8013-0605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0605?
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What is the minimum amount of 8013-0605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0605
  • 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 8013-0605 available by request