8008-9844 Screening compound: 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-1-propanone

8008-9844 Screening compound: 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-1-propanone
8008-9844 Screening compound: 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9844
1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-1-propanone

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

8008-9844

Molecular Formula

C16H22N2O (C16 H22 N2 O)

Compound Name

1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-1-propanone

IUPAC name

1-{28-dimethyl-1H2H3H4H4aH5H9bH-pyrido[43-b]indol-5-yl}propan-1-one

SMILES

CCC(N(C1C2CN(C)CC1)c1c2cc(C)cc1)=O

InChI

InChI=1S/C16H22N2O/c1-4-16(19)18-14-6-5-11(2)9-12(14)13-10-17(3)8-7-15(13)18/h5-6,9,13,15H,4,7-8,10H2,1-3H3

InChI Key

YZOFFOOGEUJNQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223173

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

258.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.762

Distribution Coefficient, logD

0.025

Water Solubility, LogSw

-2.61

Polar Surface Area

17.935

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.25

8008-9844 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8008-9844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9844?
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What is the minimum amount of 8008-9844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9844
  • 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 8008-9844 available by request