5821-0212 Screening compound: 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide

5821-0212 Screening compound: 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide
5821-0212 Screening compound: 3-chloro-N-[3-(1H-imidazol-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5821-0212
3-chloro-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

5821-0212

Molecular Formula

C13H14ClN3O (C13 H14 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(Cl)c1)NCCCn1cncc1

InChI

InChI=1S/C13H14ClN3O/c14-12-4-1-3-11(9-12)13(18)16-5-2-7-17-8-6-15-10-17/h1,3-4,6,8-10H,2,5,7H2,(H,16,18)

InChI Key

JOTSDSUCHKJFOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00227517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.73

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

1.597

Distribution Coefficient, logD

1.355

Water Solubility, LogSw

-2.55

Polar Surface Area

37.294

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

5821-0212 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

STING Agonist Library (5895 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with 5821-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5821-0212?
Check Price and Availability of 5821-0212, 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 5821-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5821-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5821-0212
  • 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 5821-0212 available by request