6026-0027 Screening compound: 2-[4-(allyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

6026-0027 Screening compound: 2-[4-(allyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
6026-0027 Screening compound: 2-[4-(allyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6026-0027
2-[4-(allyloxy)phenyl]-5,7-dimethyl-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

6026-0027

Molecular Formula

C19H24N2O2 (C19 H24 N2 O2)

Compound Name

2-[4-(allyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

57-dimethyl-2-[4-(prop-2-en-1-yloxy)phenyl]-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CC(C1)(CN2C(c(cc3)ccc3OCC=C)N1CC1(C)C2)C1=O

InChI

InChI=1S/C19H24N2O2/c1-4-9-23-15-7-5-14(6-8-15)16-20-10-18(2)11-21(16)13-19(3,12-20)17(18)22/h4-8,16H,1,9-13H2,2-3H3

InChI Key

BMNJFOIRTFFPRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02764222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.41

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

2.818

Distribution Coefficient, logD

2.818

Water Solubility, LogSw

-3.03

Polar Surface Area

27.336

Acid Dissociation Constant (pKa)

30.02

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

References: we are preparing a list of scientific research reports with 6026-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6026-0027?
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What is the minimum amount of 6026-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6026-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6026-0027
  • 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 6026-0027 available by request