3802-0558 Screening compound: 2-[(2Z)-2-[(3-bromophenyl)formamido]-3-phenylprop-2-enamido]-3-phenylpropanoic acid

3802-0558 Screening compound: 2-[(2Z)-2-[(3-bromophenyl)formamido]-3-phenylprop-2-enamido]-3-phenylpropanoic acid
3802-0558 Screening compound: 2-[(2Z)-2-[(3-bromophenyl)formamido]-3-phenylprop-2-enamido]-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3802-0558
2-[(2Z)-2-[(3-bromophenyl)formamido]-3-phenylprop-2-enamido]-3-phenylpropanoic 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

3802-0558

Molecular Formula

C25H21BrN2O4 (C25 H21 BrN2 O4)

Compound Name

2-[(2Z)-2-[(3-bromophenyl)formamido]-3-phenylprop-2-enamido]-3-phenylpropanoic acid

IUPAC name

2-[(2Z)-2-[(3-bromophenyl)formamido]-3-phenylprop-2-enamido]-3-phenylpropanoic acid

SMILES

OC(C(Cc1ccccc1)NC(/C(/NC(c1cccc(Br)c1)=O)=C/c1ccccc1)=O)=O

InChI

InChI=1S/C25H21BrN2O4/c26-20-13-7-12-19(16-20)23(29)27-21(14-17-8-3-1-4-9-17)24(30)28-22(25(31)32)15-18-10-5-2-6-11-18/h1-14,16,22H,15H2,(H,27,29)(H,28,30)(H,31,32)/t22-/m0/s1

InChI Key

YJKSIEUBAUHXDX-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03015977

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.505

Distribution Coefficient, logD

0.165

Water Solubility, LogSw

-3.66

Polar Surface Area

74.615

Acid Dissociation Constant (pKa)

4.06

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

3802-0558 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 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
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 3802-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3802-0558?
Check Price and Availability of 3802-0558, 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 3802-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3802-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3802-0558
  • 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 3802-0558 available by request