C533-1400 Screening compound: N-[2-(4-ethylpiperazino)ethyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

C533-1400 Screening compound: N-[2-(4-ethylpiperazino)ethyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide
C533-1400 Screening compound: N-[2-(4-ethylpiperazino)ethyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C533-1400
N-[2-(4-ethylpiperazino)ethyl]-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

C533-1400

Molecular Formula

C19H31N3O3 (C19 H31 N3 O3)

Compound Name

N-[2-(4-ethylpiperazino)ethyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

IUPAC name

N-[2-(4-ethylpiperazin-1-yl)ethyl]-3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carboxamide

SMILES

CCN1CCN(CCNC(C(C2(CCCCC2)O2)=C(C)C2=O)=O)CC1

InChI

InChI=1S/C19H31N3O3/c1-3-21-11-13-22(14-12-21)10-9-20-17(23)16-15(2)18(24)25-19(16)7-5-4-6-8-19/h3-14H2,1-2H3,(H,20,23)

InChI Key

NYNVYLUYKBUJEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14768363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.233

Distribution Coefficient, logD

0.441

Water Solubility, LogSw

-1.32

Polar Surface Area

52.838

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

78.95

C533-1400 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C533-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C533-1400?
Check Price and Availability of C533-1400, 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 C533-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C533-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C533-1400
  • 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 C533-1400 available by request