8005-9192 Screening compound: 2-[(2Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enamido]-3-phenylpropanoic acid

8005-9192 Screening compound: 2-[(2Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enamido]-3-phenylpropanoic acid
8005-9192 Screening compound: 2-[(2Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enamido]-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9192
2-[(2Z)-2-acetamido-3-(4-fluorophenyl)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

8005-9192

Molecular Formula

C20H19FN2O4 (C20 H19 FN2 O4)

Compound Name

2-[(2Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enamido]-3-phenylpropanoic acid

IUPAC name

2-[(2Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enamido]-3-phenylpropanoic acid

SMILES

CC(N/C(/C(NC(Cc1ccccc1)C(O)=O)=O)=C\c(cc1)ccc1F)=O

InChI

InChI=1S/C20H19FN2O4/c1-13(24)22-17(11-15-7-9-16(21)10-8-15)19(25)23-18(20(26)27)12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3,(H,22,24)(H,23,25)(H,26,27)/t18-/m0/s1

InChI Key

LSUOFGACKWWEQF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00822852

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.117

Distribution Coefficient, logD

-2.223

Water Solubility, LogSw

-1.69

Polar Surface Area

74.786

Acid Dissociation Constant (pKa)

4.06

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

8005-9192 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

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

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 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
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Structure:
  • Pool
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8005-9192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9192?
Check Price and Availability of 8005-9192, 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 8005-9192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9192
  • 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 8005-9192 available by request