8009-2061 Screening compound: 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-1-butanone

8009-2061 Screening compound: 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-1-butanone
8009-2061 Screening compound: 1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2061
1-(2,8-dimethyl-1,2,3,4,4a,9b-hexahydro-5H-pyrido[4,3-b]indol-5-yl)-1-butanone

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

8009-2061

Molecular Formula

C17H24N2O (C17 H24 N2 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H24N2O/c1-4-5-17(20)19-15-7-6-12(2)10-13(15)14-11-18(3)9-8-16(14)19/h6-7,10,14,16H,4-5,8-9,11H2,1-3H3

InChI Key

BZYJTNJQADRYCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223172

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

272.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.366

Distribution Coefficient, logD

0.629

Water Solubility, LogSw

-2.95

Polar Surface Area

17.935

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.82

8009-2061 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system

References: we are preparing a list of scientific research reports with 8009-2061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2061?
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What is the minimum amount of 8009-2061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2061
  • 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 8009-2061 available by request