5218-4191 Screening compound: 3-[3-methyl-2-(phenylformamido)but-2-enamido]propanoic acid

5218-4191 Screening compound: 3-[3-methyl-2-(phenylformamido)but-2-enamido]propanoic acid
5218-4191 Screening compound: 3-[3-methyl-2-(phenylformamido)but-2-enamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5218-4191
3-[3-methyl-2-(phenylformamido)but-2-enamido]propanoic acid

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

5218-4191

Molecular Formula

C15H18N2O4 (C15 H18 N2 O4)

Compound Name

3-[3-methyl-2-(phenylformamido)but-2-enamido]propanoic acid

IUPAC name

3-[3-methyl-2-(phenylformamido)but-2-enamido]propanoic acid

SMILES

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

InChI

InChI=1S/C15H18N2O4/c1-10(2)13(15(21)16-9-8-12(18)19)17-14(20)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H,16,21)(H,17,20)(H,18,19)

InChI Key

ZQWUDIOCFORJQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00230485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.378

Distribution Coefficient, logD

-2.318

Water Solubility, LogSw

-1.75

Polar Surface Area

77.738

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

5218-4191 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Agro:
  • Agro
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5218-4191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5218-4191?
Check Price and Availability of 5218-4191, 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 5218-4191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5218-4191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5218-4191
  • 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 5218-4191 available by request