5821-0292 Screening compound: 4-fluoro-N-[3-(1H-imidazol-1-yl)propyl]benzamide

5821-0292 Screening compound: 4-fluoro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
5821-0292 Screening compound: 4-fluoro-N-[3-(1H-imidazol-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5821-0292
4-fluoro-N-[3-(1H-imidazol-1-yl)propyl]benzamide

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

5821-0292

Molecular Formula

C13H14FN3O (C13 H14 FN3 O)

Compound Name

4-fluoro-N-[3-(1H-imidazol-1-yl)propyl]benzamide

IUPAC name

4-fluoro-N-[3-(1H-imidazol-1-yl)propyl]benzamide

SMILES

O=C(c(cc1)ccc1F)NCCCn1cncc1

InChI

InChI=1S/C13H14FN3O/c14-12-4-2-11(3-5-12)13(18)16-6-1-8-17-9-7-15-10-17/h2-5,7,9-10H,1,6,8H2,(H,16,18)

InChI Key

UDWWHSITWKERNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01835033

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

247.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.963

Distribution Coefficient, logD

0.722

Water Solubility, LogSw

-1.51

Polar Surface Area

37.294

Acid Dissociation Constant (pKa)

12.81

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5821-0292 in Drug Discovery

Included in Screening Libraries

Arginase Targeted Library (2009 compounds)

Dark Chemical Matter Library (18430 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others
  • Others
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 5821-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5821-0292?
Check Price and Availability of 5821-0292, 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 5821-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5821-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5821-0292
  • 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 5821-0292 available by request