3460-0052 Screening compound: N-[(8-hydroxy-7-quinolyl)(4-methylphenyl)methyl]butanamide

3460-0052 Screening compound: N-[(8-hydroxy-7-quinolyl)(4-methylphenyl)methyl]butanamide
3460-0052 Screening compound: N-[(8-hydroxy-7-quinolyl)(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3460-0052
N-[(8-hydroxy-7-quinolyl)(4-methylphenyl)methyl]butanamide

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

3460-0052

Molecular Formula

C21H22N2O2 (C21 H22 N2 O2)

Compound Name

N-[(8-hydroxy-7-quinolyl)(4-methylphenyl)methyl]butanamide

IUPAC name

n/a

SMILES

CCCC(NC(c1ccc(C)cc1)c(ccc1cccnc11)c1O)=O

InChI

InChI=1S/C21H22N2O2/c1-3-5-18(24)23-19(16-9-7-14(2)8-10-16)17-12-11-15-6-4-13-22-20(15)21(17)25/h4,6-13,19,25H,3,5H2,1-2H3,(H,23,24)/t19-/m0/s1

InChI Key

YLHAGZFGLRYNET-IBGZPJMESA-N

MDL Number (MFCD)

MFCD02045680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.061

Water Solubility, LogSw

-3.83

Polar Surface Area

48.803

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.81

3460-0052 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3460-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3460-0052?
Check Price and Availability of 3460-0052, 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 3460-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3460-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3460-0052
  • 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 3460-0052 available by request