8010-3847 Screening compound: 2-(isopentyloxy)-N~1~,N~1~-dimethyl-2-oxo-N~1~-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}-1-ethanaminium

8010-3847 Screening compound: 2-(isopentyloxy)-N~1~,N~1~-dimethyl-2-oxo-N~1~-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}-1-ethanaminium
8010-3847 Screening compound: 2-(isopentyloxy)-N~1~,N~1~-dimethyl-2-oxo-N~1~-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}-1-ethanaminium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3847
2-(isopentyloxy)-N~1~,N~1~-dimethyl-2-oxo-N~1~-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}-1-ethanaminium

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

8010-3847

Molecular Formula

C21H40NO3 (C21 H40 NO3)

Compound Name

2-(isopentyloxy)-N~1~,N~1~-dimethyl-2-oxo-N~1~-{2-[(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)oxy]ethyl}-1-ethanaminium

IUPAC name

dimethyl[2-(3-methylbutoxy)-2-oxoethyl][2-({177-trimethylbicyclo[2.2.1]heptan-2-yl}oxy)ethyl]azanium

SMILES

CC(C)CCOC(C[N+](C)(C)CCOC1C(C)(CC2)C(C)(C)C2C1)=O

InChI

InChI=1S/C21H40NO3/c1-16(2)9-12-25-19(23)15-22(6,7)11-13-24-18-14-17-8-10-21(18,5)20(17,3)4/h16-18H,8-15H2,1-7H3/q+1

InChI Key

FFRJRVNKSZLOCM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

354.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.711

Distribution Coefficient, logD

4.711

Water Solubility, LogSw

-3.96

Polar Surface Area

28.746

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

95.24

8010-3847 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-3847 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3847
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  • 2–4 weeks for large selections
Delivery formats for 8010-3847
  • 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 8010-3847 available by request