D318-0392 Screening compound: 2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D318-0392 Screening compound: 2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D318-0392 Screening compound: 2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0392
2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,7-diethyl-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

D318-0392

Molecular Formula

C19H32N2O2 (C19 H32 N2 O2)

Compound Name

2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

2-(22-dimethyloxan-4-yl)-57-diethyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CCC(C1)(CN2C(C3CC(C)(C)OCC3)N1CC1(CC)C2)C1=O

InChI

InChI=1S/C19H32N2O2/c1-5-18-10-20-12-19(6-2,16(18)22)13-21(11-18)15(20)14-7-8-23-17(3,4)9-14/h14-15H,5-13H2,1-4H3/t14-,15?,18?,19?/m0/s1

InChI Key

JFOUVNIBWUJRPX-PLDSJADBSA-N

MDL Number (MFCD)

MFCD14818844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.48

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

2.785

Distribution Coefficient, logD

2.784

Water Solubility, LogSw

-2.55

Polar Surface Area

27.309

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

94.70

D318-0392 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D318-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0392?
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What is the minimum amount of D318-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0392
  • 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 D318-0392 available by request