2950-0592 Screening compound: 4-chloro-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide

2950-0592 Screening compound: 4-chloro-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide
2950-0592 Screening compound: 4-chloro-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2950-0592
4-chloro-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}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

2950-0592

Molecular Formula

C21H23ClN4O (C21 H23 ClN4 O)

Compound Name

4-chloro-N-{1-[2-(piperidin-1-yl)ethyl]-1H-1,3-benzodiazol-2-yl}benzamide

IUPAC name

4-chloro-N-{1-[2-(piperidin-1-yl)ethyl]-1H-13-benzodiazol-2-yl}benzamide

SMILES

O=C(c(cc1)ccc1Cl)Nc1nc(cccc2)c2n1CCN1CCCCC1

InChI

InChI=1S/C21H23ClN4O/c22-17-10-8-16(9-11-17)20(27)24-21-23-18-6-2-3-7-19(18)26(21)15-14-25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-15H2,(H,23,24,27)

InChI Key

IFCSSTIXCVNMJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01945105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.355

Distribution Coefficient, logD

2.674

Water Solubility, LogSw

-4.63

Polar Surface Area

39.127

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

2950-0592 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Kinases
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 2950-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2950-0592?
Check Price and Availability of 2950-0592, 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 2950-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2950-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2950-0592
  • 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 2950-0592 available by request