D318-0579 Screening compound: 5-methyl-7-propyl-1,3-diaza-2,2'-spirobi[tricyclo[3.3.1.1~3,7~]decan]-6-one

D318-0579 Screening compound: 5-methyl-7-propyl-1,3-diaza-2,2'-spirobi[tricyclo[3.3.1.1~3,7~]decan]-6-one
D318-0579 Screening compound: 5-methyl-7-propyl-1,3-diaza-2,2'-spirobi[tricyclo[3.3.1.1~3,7~]decan]-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0579
5-methyl-7-propyl-1,3-diaza-2,2'-spirobi[tricyclo[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

D318-0579

Molecular Formula

C21H32N2O (C21 H32 N2 O)

Compound Name

5-methyl-7-propyl-1,3-diaza-2,2'-spirobi[tricyclo[3.3.1.1~3,7~]decan]-6-one

IUPAC name

7'-methyl-5'-propyl-1'3'-diazaspiro[adamantane-22'-tricyclo[3.3.1.1^{37}]decan]-6'-one

SMILES

CCCC1(CN(CC2(C)C3)C4(C5CC(C6)CC4CC6C5)N3C1)C2=O

InChI

InChI=1S/C21H34N2O/c1-3-4-20-12-22-10-19(2,18(20)24)11-23(13-20)21(22)16-6-14-5-15(8-16)9-17(21)7-14/h14-17,22-23H,3-13H2,1-2H3

InChI Key

URAKXAHBCHBGNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14818859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.917

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.57

Polar Surface Area

18.819

Acid Dissociation Constant (pKa)

25.27

Base Dissociation Constant (pKb)

3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

95.20

D318-0579 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D318-0579 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0579?
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What is the minimum amount of D318-0579 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0579
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0579
  • 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 D318-0579 available by request