D210-0100 Screening compound: 5-(5,7-diethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-6-methyl-2,4(1H,3H)-pyrimidinedione

D210-0100 Screening compound: 5-(5,7-diethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-6-methyl-2,4(1H,3H)-pyrimidinedione
D210-0100 Screening compound: 5-(5,7-diethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-6-methyl-2,4(1H,3H)-pyrimidinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound D210-0100
5-(5,7-diethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-6-methyl-2,4(1H,3H)-pyrimidinedione

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

D210-0100

Molecular Formula

C17H24N4O3 (C17 H24 N4 O3)

Compound Name

5-(5,7-diethyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]dec-2-yl)-6-methyl-2,4(1H,3H)-pyrimidinedione

IUPAC name

5-{57-diethyl-6-oxo-13-diazatricyclo[3.3.1.1^{37}]decan-2-yl}-6-methyl-1234-tetrahydropyrimidine-24-dione

SMILES

CCC(C1)(CN2C(C(C(N3)=O)=C(C)NC3=O)N1CC1(CC)C2)C1=O

InChI

InChI=1S/C17H24N4O3/c1-4-16-6-20-8-17(5-2,14(16)23)9-21(7-16)13(20)11-10(3)18-15(24)19-12(11)22/h13H,4-9H2,1-3H3,(H2,18,19,22,24)

InChI Key

IKZQXWIIDWYYIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26967323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.553

Distribution Coefficient, logD

0.211

Water Solubility, LogSw

-1.81

Polar Surface Area

68.452

Acid Dissociation Constant (pKa)

7.32

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.59

D210-0100 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D210-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D210-0100?
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What is the minimum amount of D210-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D210-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D210-0100
  • 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 D210-0100 available by request