5218-4192 Screening compound: N-(3-hydroxypropyl)-3-methyl-2-(phenylformamido)but-2-enamide

5218-4192 Screening compound: N-(3-hydroxypropyl)-3-methyl-2-(phenylformamido)but-2-enamide
5218-4192 Screening compound: N-(3-hydroxypropyl)-3-methyl-2-(phenylformamido)but-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5218-4192
N-(3-hydroxypropyl)-3-methyl-2-(phenylformamido)but-2-enamide

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

5218-4192

Molecular Formula

C15H20N2O3 (C15 H20 N2 O3)

Compound Name

N-(3-hydroxypropyl)-3-methyl-2-(phenylformamido)but-2-enamide

IUPAC name

N-(3-hydroxypropyl)-3-methyl-2-(phenylformamido)but-2-enamide

SMILES

CC(C)=C(C(NCCCO)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C15H20N2O3/c1-11(2)13(15(20)16-9-6-10-18)17-14(19)12-7-4-3-5-8-12/h3-5,7-8,18H,6,9-10H2,1-2H3,(H,16,20)(H,17,19)

InChI Key

JCNCQQQXPGUYDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00699059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.689

Distribution Coefficient, logD

-0.827

Water Solubility, LogSw

-1.65

Polar Surface Area

66.009

Acid Dissociation Constant (pKa)

5.90

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

5218-4192 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5218-4192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-4192?
Check Price and Availability of 5218-4192, 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 5218-4192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-4192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-4192
  • 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 5218-4192 available by request