8016-3272 Screening compound: 2-(1-ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

8016-3272 Screening compound: 2-(1-ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
8016-3272 Screening compound: 2-(1-ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-3272
2-(1-ethyl-1H-indol-3-yl)-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

8016-3272

Molecular Formula

C20H27N3O (C20 H27 N3 O)

Compound Name

2-(1-ethyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

IUPAC name

2-(1-ethyl-1H-indol-3-yl)-57-dimethyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-ol

SMILES

CCn1c(cccc2)c2c(C(N(CC2(C)C3)C4)N3CC4(C)C2O)c1

InChI

InChI=1S/C20H27N3O/c1-4-21-9-15(14-7-5-6-8-16(14)21)17-22-10-19(2)11-23(17)13-20(3,12-22)18(19)24/h5-9,17-18,24H,4,10-13H2,1-3H3

InChI Key

BJJQIIUYWZVYRT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.45

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.238

Distribution Coefficient, logD

-1.738

Water Solubility, LogSw

-1.91

Polar Surface Area

24.010

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

11.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

8016-3272 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8016-3272 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-3272?
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What is the minimum amount of 8016-3272 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-3272
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-3272
  • 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 8016-3272 available by request