6344-0063 Screening compound: 8'-benzyl-4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]

6344-0063 Screening compound: 8'-benzyl-4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]
6344-0063 Screening compound: 8'-benzyl-4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline] alternative view

Chemical Structure Depiction of ChemDiv screening compound 6344-0063
8'-benzyl-4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]

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

6344-0063

Molecular Formula

C22H27N (C22 H27 N)

Compound Name

8'-benzyl-4'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-quinoline]

IUPAC name

8'-benzyl-4'-methyl-3'4'-dihydro-1'H-spiro[cyclohexane-12'-quinoline]

SMILES

CC1c(cccc2Cc3ccccc3)c2NC2(CCCCC2)C1

InChI

InChI=1S/C22H27N/c1-17-16-22(13-6-3-7-14-22)23-21-19(11-8-12-20(17)21)15-18-9-4-2-5-10-18/h2,4-5,8-12,17,23H,3,6-7,13-16H2,1H3/t17-/m1/s1

InChI Key

VBJPLMLZRNGXSN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD04014101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.46

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.613

Distribution Coefficient, logD

5.065

Water Solubility, LogSw

-5.55

Polar Surface Area

9.632

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

6344-0063 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6344-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6344-0063?
Check Price and Availability of 6344-0063, 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 6344-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6344-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6344-0063
  • 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 6344-0063 available by request