8007-5559 Screening compound: 2-[(2Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enamido]-4-(methylsulfanyl)butanoic acid

8007-5559 Screening compound: 2-[(2Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enamido]-4-(methylsulfanyl)butanoic acid
8007-5559 Screening compound: 2-[(2Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enamido]-4-(methylsulfanyl)butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5559
2-[(2Z)-2-acetamido-3-(4-fluorophenyl)prop-2-enamido]-4-(methylsulfanyl)butanoic 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

8007-5559

Molecular Formula

C16H19FN2O4S (C16 H19 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H19FN2O4S/c1-10(20)18-14(9-11-3-5-12(17)6-4-11)15(21)19-13(16(22)23)7-8-24-2/h3-6,9,13H,7-8H2,1-2H3,(H,18,20)(H,19,21)(H,22,23)/t13-/m0/s1

InChI Key

XLXYMSVBLJQCFU-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD01304131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.480

Distribution Coefficient, logD

-2.887

Water Solubility, LogSw

-1.79

Polar Surface Area

75.057

Acid Dissociation Constant (pKa)

4.03

Base Dissociation Constant (pKb)

-1.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

8007-5559 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 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
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Structure:
  • Pool
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8007-5559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5559?
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What is the minimum amount of 8007-5559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5559
  • 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 8007-5559 available by request