C533-1411 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C533-1411 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
C533-1411 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C533-1411
N-{3-[benzyl(butyl)amino]propyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

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

C533-1411

Molecular Formula

C25H36N2O3 (C25 H36 N2 O3)

Compound Name

N-{3-[benzyl(butyl)amino]propyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

N-{3-[benzyl(butyl)amino]propyl}-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CCCCN(CCCNC(C(C1(CCCCC1)O1)=C(C)C1=O)=O)Cc1ccccc1

InChI

InChI=1S/C25H36N2O3/c1-3-4-17-27(19-21-12-7-5-8-13-21)18-11-16-26-23(28)22-20(2)24(29)30-25(22)14-9-6-10-15-25/h5,7-8,12-13H,3-4,6,9-11,14-19H2,1-2H3,(H,26,28)

InChI Key

YNDZXTGRLPYNEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.216

Distribution Coefficient, logD

2.654

Water Solubility, LogSw

-3.86

Polar Surface Area

49.259

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C533-1411 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C533-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C533-1411?
Check Price and Availability of C533-1411, 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 C533-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C533-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C533-1411
  • 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 C533-1411 available by request