D171-0098 Screening compound: 5,7-dipropyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D171-0098 Screening compound: 5,7-dipropyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D171-0098 Screening compound: 5,7-dipropyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D171-0098
5,7-dipropyl-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

D171-0098

Molecular Formula

C19H27N3O (C19 H27 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCC(C1)(CN2C(c3ncccc3)N1CC1(CCC)C2)C1=O

InChI

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

InChI Key

ZOOJXOYUCLIFLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06166280

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

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.889

Distribution Coefficient, logD

2.887

Water Solubility, LogSw

-3.04

Polar Surface Area

28.966

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

D171-0098 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D171-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D171-0098?
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What is the minimum amount of D171-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D171-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D171-0098
  • 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 D171-0098 available by request