8009-3251 Screening compound: 5-(adamantane-1-carbonyl)-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole

8009-3251 Screening compound: 5-(adamantane-1-carbonyl)-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole
8009-3251 Screening compound: 5-(adamantane-1-carbonyl)-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3251
5-(adamantane-1-carbonyl)-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

8009-3251

Molecular Formula

C24H32N2O (C24 H32 N2 O)

Compound Name

5-(adamantane-1-carbonyl)-2,8-dimethyl-1H,2H,3H,4H,4aH,5H,9bH-pyrido[4,3-b]indole

IUPAC name

5-(adamantane-1-carbonyl)-28-dimethyl-1H2H3H4H4aH5H9bH-pyrido[43-b]indole

SMILES

Cc(cc1)cc(C2C3CCN(C)C2)c1N3C(C1(CC(C2)C3)CC3CC2C1)=O

InChI

InChI=1S/C24H32N2O/c1-15-3-4-21-19(7-15)20-14-25(2)6-5-22(20)26(21)23(27)24-11-16-8-17(12-24)10-18(9-16)13-24/h3-4,7,16-18,20,22H,5-6,8-14H2,1-2H3

InChI Key

CODAXLRJLVYQPK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

364.53

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

4.413

Distribution Coefficient, logD

2.676

Water Solubility, LogSw

-4.41

Polar Surface Area

18.225

Acid Dissociation Constant (pKa)

23.45

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

70.80

8009-3251 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8009-3251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3251?
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What is the minimum amount of 8009-3251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3251
  • 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 8009-3251 available by request