6658-0032 Screening compound: 1-(2-methyl-1H-1,3-benzodiazol-1-yl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol

6658-0032 Screening compound: 1-(2-methyl-1H-1,3-benzodiazol-1-yl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol
6658-0032 Screening compound: 1-(2-methyl-1H-1,3-benzodiazol-1-yl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6658-0032
1-(2-methyl-1H-1,3-benzodiazol-1-yl)-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

6658-0032

Molecular Formula

C24H27N3O (C24 H27 N3 O)

Compound Name

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

IUPAC name

1-(2-methyl-1H-13-benzodiazol-1-yl)-3-(6-methyl-2349-tetrahydro-1H-carbazol-9-yl)propan-2-ol

SMILES

Cc1nc(cccc2)c2n1CC(Cn1c(ccc(C)c2)c2c2c1CCCC2)O

InChI

InChI=1S/C24H27N3O/c1-16-11-12-23-20(13-16)19-7-3-5-9-22(19)27(23)15-18(28)14-26-17(2)25-21-8-4-6-10-24(21)26/h4,6,8,10-13,18,28H,3,5,7,9,14-15H2,1-2H3/t18-/m0/s1

InChI Key

IPRMBCGSQNTBJH-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04492198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.226

Distribution Coefficient, logD

5.223

Water Solubility, LogSw

-5.13

Polar Surface Area

28.941

Acid Dissociation Constant (pKa)

16.48

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

6658-0032 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6658-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6658-0032?
Check Price and Availability of 6658-0032, 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 6658-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6658-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6658-0032
  • 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 6658-0032 available by request