6658-0003 Screening compound: 1-(benzylamino)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol

6658-0003 Screening compound: 1-(benzylamino)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol
6658-0003 Screening compound: 1-(benzylamino)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6658-0003
1-(benzylamino)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol

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

6658-0003

Molecular Formula

C23H28N2O (C23 H28 N2 O)

Compound Name

1-(benzylamino)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol

IUPAC name

1-(benzylamino)-3-(6-methyl-2349-tetrahydro-1H-carbazol-9-yl)propan-2-ol

SMILES

Cc(cc1)cc2c1n(CC(CNCc1ccccc1)O)c1c2CCCC1

InChI

InChI=1S/C23H28N2O/c1-17-11-12-23-21(13-17)20-9-5-6-10-22(20)25(23)16-19(26)15-24-14-18-7-3-2-4-8-18/h2-4,7-8,11-13,19,24,26H,5-6,9-10,14-16H2,1H3/t19-/m0/s1

InChI Key

MQJVMBQJHBLUAH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD04492243

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.841

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-4.64

Polar Surface Area

30.001

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

6658-0003 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6658-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6658-0003?
Check Price and Availability of 6658-0003, 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 6658-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6658-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6658-0003
  • 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 6658-0003 available by request