6930-0047 Screening compound: 2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

6930-0047 Screening compound: 2-(1-benzyl-1H-indol-3-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
6930-0047 Screening compound: 2-(1-benzyl-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 6930-0047
2-(1-benzyl-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

6930-0047

Molecular Formula

C25H29N3O (C25 H29 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C1)(CN2C(c3cn(Cc4ccccc4)c4c3cccc4)N1CC1(C)C2)C1O

InChI

InChI=1S/C25H29N3O/c1-24-14-27-16-25(2,23(24)29)17-28(15-24)22(27)20-13-26(12-18-8-4-3-5-9-18)21-11-7-6-10-19(20)21/h3-11,13,22-23,29H,12,14-17H2,1-2H3

InChI Key

CTNZDSBHWAIMPR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

0.408

Water Solubility, LogSw

-3.11

Polar Surface Area

24.013

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

10.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

6930-0047 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6930-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6930-0047?
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What is the minimum amount of 6930-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6930-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6930-0047
  • 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 6930-0047 available by request