5613-0123 Screening compound: 2-[(2E)-2-[(4-methylphenyl)formamido]-3-phenylprop-2-enamido]propanoic acid

5613-0123 Screening compound: 2-[(2E)-2-[(4-methylphenyl)formamido]-3-phenylprop-2-enamido]propanoic acid
5613-0123 Screening compound: 2-[(2E)-2-[(4-methylphenyl)formamido]-3-phenylprop-2-enamido]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5613-0123
2-[(2E)-2-[(4-methylphenyl)formamido]-3-phenylprop-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

5613-0123

Molecular Formula

C20H20N2O4 (C20 H20 N2 O4)

Compound Name

2-[(2E)-2-[(4-methylphenyl)formamido]-3-phenylprop-2-enamido]propanoic acid

IUPAC name

2-[(2E)-2-[(4-methylphenyl)formamido]-3-phenylprop-2-enamido]propanoic acid

SMILES

CC(C(O)=O)NC(/C(/NC(c1ccc(C)cc1)=O)=C\c1ccccc1)=O

InChI

InChI=1S/C20H20N2O4/c1-13-8-10-16(11-9-13)18(23)22-17(12-15-6-4-3-5-7-15)19(24)21-14(2)20(25)26/h3-12,14H,1-2H3,(H,21,24)(H,22,23)(H,25,26)/t14-/m0/s1

InChI Key

QQXZFGVYDBCLSS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD03502586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

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

1.925

Distribution Coefficient, logD

-1.473

Water Solubility, LogSw

-2.42

Polar Surface Area

74.419

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

5613-0123 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5613-0123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5613-0123?
Check Price and Availability of 5613-0123, 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 5613-0123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5613-0123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5613-0123
  • 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 5613-0123 available by request