3379-2713 Screening compound: 2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-3-phenylpropanoic acid

3379-2713 Screening compound: 2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-3-phenylpropanoic acid
3379-2713 Screening compound: 2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3379-2713
2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-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

3379-2713

Molecular Formula

C25H21ClN2O4 (C25 H21 ClN2 O4)

Compound Name

2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-3-phenylpropanoic acid

IUPAC name

2-[(2Z)-3-(4-chlorophenyl)-2-(phenylformamido)prop-2-enamido]-3-phenylpropanoic acid

SMILES

OC(C(Cc1ccccc1)NC(/C(/NC(c1ccccc1)=O)=C/c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C25H21ClN2O4/c26-20-13-11-18(12-14-20)15-21(27-23(29)19-9-5-2-6-10-19)24(30)28-22(25(31)32)16-17-7-3-1-4-8-17/h1-15,22H,16H2,(H,27,29)(H,28,30)(H,31,32)/t22-/m0/s1

InChI Key

YMPISWDOBJPUPL-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02642388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.91

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

3.141

Distribution Coefficient, logD

-0.199

Water Solubility, LogSw

-3.61

Polar Surface Area

74.615

Acid Dissociation Constant (pKa)

4.06

Base Dissociation Constant (pKb)

4.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

3379-2713 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CORONAVIRUS Library (20774 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:
  • Infections
  • Immune system
  • animal
  • 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
Agro:
  • Agro
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 3379-2713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3379-2713?
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What is the minimum amount of 3379-2713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3379-2713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3379-2713
  • 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 3379-2713 available by request