8014-1417 Screening compound: 2-(4-fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

8014-1417 Screening compound: 2-(4-fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
8014-1417 Screening compound: 2-(4-fluorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-1417
2-(4-fluorophenyl)-5,7-diisopropyl-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

8014-1417

Molecular Formula

C20H29FN2O (C20 H29 FN2 O)

Compound Name

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

IUPAC name

2-(4-fluorophenyl)-57-bis(propan-2-yl)-13-diazatricyclo[3.3.1.1^{37}]decan-6-ol

SMILES

CC(C)C(C1)(CN(C2)C(c(cc3)ccc3F)N1CC21C(C)C)C1O

InChI

InChI=1S/C20H29FN2O/c1-13(2)19-9-22-11-20(14(3)4,18(19)24)12-23(10-19)17(22)15-5-7-16(21)8-6-15/h5-8,13-14,17-18,24H,9-12H2,1-4H3

InChI Key

TZWBHKDADRIKQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03292577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

2.612

Water Solubility, LogSw

-3.05

Polar Surface Area

22.281

Acid Dissociation Constant (pKa)

19.08

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

8014-1417 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-1417?
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What is the minimum amount of 8014-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-1417
  • 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 8014-1417 available by request