4478-7605 Screening compound: N-benzyl-N-[2-(N-benzylbutanamido)ethyl]butanamide

4478-7605 Screening compound: N-benzyl-N-[2-(N-benzylbutanamido)ethyl]butanamide
4478-7605 Screening compound: N-benzyl-N-[2-(N-benzylbutanamido)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7605
N-benzyl-N-[2-(N-benzylbutanamido)ethyl]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

4478-7605

Molecular Formula

C24H32N2O2 (C24 H32 N2 O2)

Compound Name

N-benzyl-N-[2-(N-benzylbutanamido)ethyl]butanamide

IUPAC name

N-benzyl-N-[2-(N-benzylbutanamido)ethyl]butanamide

SMILES

CCCC(N(CCN(Cc1ccccc1)C(CCC)=O)Cc1ccccc1)=O

InChI

InChI=1S/C24H32N2O2/c1-3-11-23(27)25(19-21-13-7-5-8-14-21)17-18-26(24(28)12-4-2)20-22-15-9-6-10-16-22/h5-10,13-16H,3-4,11-12,17-20H2,1-2H3

InChI Key

WJCDSFYTXMXLBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02603294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.537

Distribution Coefficient, logD

4.537

Water Solubility, LogSw

-4.17

Polar Surface Area

31.834

Acid Dissociation Constant (pKa)

23.87

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

4478-7605 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4478-7605 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7605?
Check Price and Availability of 4478-7605, 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 4478-7605 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7605
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7605
  • 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 4478-7605 available by request