8018-5329 Screening compound: 3-(3-fluorophenyl)-N~1~-[3-(1H-imidazol-1-yl)propyl]propanamide

8018-5329 Screening compound: 3-(3-fluorophenyl)-N~1~-[3-(1H-imidazol-1-yl)propyl]propanamide
8018-5329 Screening compound: 3-(3-fluorophenyl)-N~1~-[3-(1H-imidazol-1-yl)propyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5329
3-(3-fluorophenyl)-N~1~-[3-(1H-imidazol-1-yl)propyl]propanamide

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

8018-5329

Molecular Formula

C15H18FN3O (C15 H18 FN3 O)

Compound Name

3-(3-fluorophenyl)-N~1~-[3-(1H-imidazol-1-yl)propyl]propanamide

IUPAC name

3-(3-fluorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]propanamide

SMILES

O=C(CCc1cccc(F)c1)NCCCn1cncc1

InChI

InChI=1S/C15H18FN3O/c16-14-4-1-3-13(11-14)5-6-15(20)18-7-2-9-19-10-8-17-12-19/h1,3-4,8,10-12H,2,5-7,9H2,(H,18,20)

InChI Key

ZPOGUJRIPJUZMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800347

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

275.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.252

Distribution Coefficient, logD

1.010

Water Solubility, LogSw

-1.59

Polar Surface Area

37.080

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8018-5329 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 8018-5329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5329?
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What is the minimum amount of 8018-5329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5329
  • 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 8018-5329 available by request