D318-0544 Screening compound: 5'-methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-6'-ol

D318-0544 Screening compound: 5'-methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-6'-ol
D318-0544 Screening compound: 5'-methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-6'-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0544
5'-methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-6'-ol

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

D318-0544

Molecular Formula

C17H30N2O (C17 H30 N2 O)

Compound Name

5'-methyl-7'-propyl-1',3'-diazaspiro[cyclohexane-1,2'-tricyclo[3.3.1.1~3,7~]decan]-6'-ol

IUPAC name

5'-methyl-7'-propyl-1'3'-diazaspiro[cyclohexane-12'-tricyclo[3.3.1.1^{37}]decan]-6'-ol

SMILES

CCCC1(CN(CC2(C)C3)C4(CCCCC4)N3C1)C2O

InChI

InChI=1S/C17H32N2O/c1-3-7-16-12-18-10-15(2,14(16)20)11-19(13-16)17(18)8-5-4-6-9-17/h14,18-20H,3-13H2,1-2H3

InChI Key

BSCVIDPAIFFSKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

1.902

Water Solubility, LogSw

-2.75

Polar Surface Area

22.046

Acid Dissociation Constant (pKa)

19.40

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

100.00

D318-0544 in Drug Discovery

Included in Screening Libraries

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

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 D318-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0544?
Check Price and Availability of D318-0544, 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 D318-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0544
  • 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 D318-0544 available by request