8008-9597 Screening compound: 5-cyclopropanecarbonyl-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole

8008-9597 Screening compound: 5-cyclopropanecarbonyl-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole
8008-9597 Screening compound: 5-cyclopropanecarbonyl-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9597
5-cyclopropanecarbonyl-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole

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

8008-9597

Molecular Formula

C17H22N2O (C17 H22 N2 O)

Compound Name

5-cyclopropanecarbonyl-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole

IUPAC name

5-cyclopropanecarbonyl-28-dimethyl-1H2H3H4H4aH5H9bH-pyrido[43-b]indole

SMILES

Cc(cc1)cc(C2C3CCN(C)C2)c1N3C(C1CC1)=O

InChI

InChI=1S/C17H22N2O/c1-11-3-6-15-13(9-11)14-10-18(2)8-7-16(14)19(15)17(20)12-4-5-12/h3,6,9,12,14,16H,4-5,7-8,10H2,1-2H3

InChI Key

KJALNEGZZLQEGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02702421

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

270.37

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

1.912

Distribution Coefficient, logD

0.175

Water Solubility, LogSw

-2.72

Polar Surface Area

18.714

Acid Dissociation Constant (pKa)

21.65

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

58.80

8008-9597 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Soluble Diversity Library (15920 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 8008-9597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9597?
Check Price and Availability of 8008-9597, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-9597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9597
  • 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 8008-9597 available by request