8014-9707 Screening compound: 2-(2,4-dichlorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

8014-9707 Screening compound: 2-(2,4-dichlorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
8014-9707 Screening compound: 2-(2,4-dichlorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9707
2-(2,4-dichlorophenyl)-5,7-dimethyl-1,3-diazatricyclo[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

8014-9707

Molecular Formula

C16H20Cl2N2O (C16 H20 Cl2 N2 O)

Compound Name

2-(2,4-dichlorophenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

IUPAC name

2-(24-dichlorophenyl)-57-dimethyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-ol

SMILES

CC(C1)(CN2C(c(ccc(Cl)c3)c3Cl)N1CC1(C)C2)C1O

InChI

InChI=1S/C16H20Cl2N2O/c1-15-6-19-8-16(2,14(15)21)9-20(7-15)13(19)11-4-3-10(17)5-12(11)18/h3-5,13-14,21H,6-9H2,1-2H3

InChI Key

UKQAFHGYEDUSDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03297673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.09

Polar Surface Area

22.281

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8014-9707 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8014-9707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9707?
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What is the minimum amount of 8014-9707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9707
  • 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 8014-9707 available by request