6658-0039 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol

6658-0039 Screening compound: 1-(4-benzylpiperazin-1-yl)-3-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-9-yl)propan-2-ol
6658-0039 Screening compound: 1-(4-benzylpiperazin-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 6658-0039
1-(4-benzylpiperazin-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

6658-0039

Molecular Formula

C27H35N3O (C27 H35 N3 O)

Compound Name

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

IUPAC name

1-(4-benzylpiperazin-1-yl)-3-(6-methyl-2349-tetrahydro-1H-carbazol-9-yl)propan-2-ol

SMILES

Cc(cc1)cc2c1n(CC(CN1CCN(Cc3ccccc3)CC1)O)c1c2CCCC1

InChI

InChI=1S/C27H35N3O/c1-21-11-12-27-25(17-21)24-9-5-6-10-26(24)30(27)20-23(31)19-29-15-13-28(14-16-29)18-22-7-3-2-4-8-22/h2-4,7-8,11-12,17,23,31H,5-6,9-10,13-16,18-20H2,1H3/t23-/m1/s1

InChI Key

JIWLKQFUADLPCW-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD04487194

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

417.59

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.695

Distribution Coefficient, logD

4.397

Water Solubility, LogSw

-4.41

Polar Surface Area

25.508

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

6658-0039 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Antifungal Library (16415 compounds)

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

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6658-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6658-0039?
Check Price and Availability of 6658-0039, 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 6658-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6658-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6658-0039
  • 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 6658-0039 available by request