D171-0096 Screening compound: 5,7-dimethyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D171-0096 Screening compound: 5,7-dimethyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D171-0096 Screening compound: 5,7-dimethyl-2-(2-pyridyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D171-0096
5,7-dimethyl-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

D171-0096

Molecular Formula

C15H19N3O (C15 H19 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)(CN2C(c3ncccc3)N1CC1(C)C2)C1=O

InChI

InChI=1S/C15H19N3O/c1-14-7-17-9-15(2,13(14)19)10-18(8-14)12(17)11-5-3-4-6-16-11/h3-6,12H,7-10H2,1-2H3

InChI Key

ZZXIOJMLNQYIGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.018

Distribution Coefficient, logD

1.015

Water Solubility, LogSw

-1.84

Polar Surface Area

28.966

Acid Dissociation Constant (pKa)

30.41

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

D171-0096 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D171-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D171-0096?
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What is the minimum amount of D171-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D171-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D171-0096
  • 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 D171-0096 available by request