8018-4249 Screening compound: ethyl 2-[3-(3-fluorophenyl)propanamido]acetate

8018-4249 Screening compound: ethyl 2-[3-(3-fluorophenyl)propanamido]acetate
8018-4249 Screening compound: ethyl 2-[3-(3-fluorophenyl)propanamido]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4249
ethyl 2-[3-(3-fluorophenyl)propanamido]acetate

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

8018-4249

Molecular Formula

C13H16FNO3 (C13 H16 FNO3)

Compound Name

ethyl 2-[3-(3-fluorophenyl)propanamido]acetate

IUPAC name

ethyl 2-[3-(3-fluorophenyl)propanamido]acetate

SMILES

CCOC(CNC(CCc1cccc(F)c1)=O)=O

InChI

InChI=1S/C13H16FNO3/c1-2-18-13(17)9-15-12(16)7-6-10-4-3-5-11(14)8-10/h3-5,8H,2,6-7,9H2,1H3,(H,15,16)

InChI Key

OGSRERVJMGTHDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658681

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

253.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.985

Distribution Coefficient, logD

1.985

Water Solubility, LogSw

-2.34

Polar Surface Area

44.869

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8018-4249 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-4249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4249?
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What is the minimum amount of 8018-4249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4249
  • 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 8018-4249 available by request