D171-0100 Screening compound: 5,7-diisopropyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D171-0100 Screening compound: 5,7-diisopropyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D171-0100 Screening compound: 5,7-diisopropyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D171-0100
5,7-diisopropyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-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

D171-0100

Molecular Formula

C19H27N3O (C19 H27 N3 O)

Compound Name

5,7-diisopropyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

57-bis(propan-2-yl)-2-(pyridin-2-yl)-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CC(C)C(C1)(CN(C2)C(c3ncccc3)N1CC21C(C)C)C1=O

InChI

InChI=1S/C19H27N3O/c1-13(2)18-9-21-11-19(14(3)4,17(18)23)12-22(10-18)16(21)15-7-5-6-8-20-15/h5-8,13-14,16H,9-12H2,1-4H3

InChI Key

CPOIBDQYGWMZJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06166282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.428

Distribution Coefficient, logD

2.425

Water Solubility, LogSw

-2.48

Polar Surface Area

28.966

Acid Dissociation Constant (pKa)

27.15

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

D171-0100 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D171-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D171-0100?
Check Price and Availability of D171-0100, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D171-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D171-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D171-0100
  • 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 D171-0100 available by request