D318-0558 Screening compound: 1'-benzyl-5,7-diethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,4'-piperidin]-6-one

D318-0558 Screening compound: 1'-benzyl-5,7-diethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,4'-piperidin]-6-one
D318-0558 Screening compound: 1'-benzyl-5,7-diethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,4'-piperidin]-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0558
1'-benzyl-5,7-diethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,4'-piperidin]-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

D318-0558

Molecular Formula

C23H33N3O (C23 H33 N3 O)

Compound Name

1'-benzyl-5,7-diethyl-6H-spiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,4'-piperidin]-6-one

IUPAC name

1-benzyl-5'7'-diethyl-1'3'-diazaspiro[piperidine-42'-tricyclo[3.3.1.1^{37}]decan]-6'-one

SMILES

CCC(C1)(CN2C3(CCN(Cc4ccccc4)CC3)N1CC1(CC)C2)C1=O

InChI

InChI=1S/C23H33N3O/c1-3-21-15-25-17-22(4-2,20(21)27)18-26(16-21)23(25)10-12-24(13-11-23)14-19-8-6-5-7-9-19/h5-9H,3-4,10-18H2,1-2H3

InChI Key

IRPFSOKYMGNETM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-3.59

Polar Surface Area

23.224

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

D318-0558 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D318-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0558?
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What is the minimum amount of D318-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0558
  • 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 D318-0558 available by request