4108-0787 Screening compound: N-(1-benzyl-1H-1,3-benzodiazol-2-yl)cyclohexanecarboxamide

4108-0787 Screening compound: N-(1-benzyl-1H-1,3-benzodiazol-2-yl)cyclohexanecarboxamide
4108-0787 Screening compound: N-(1-benzyl-1H-1,3-benzodiazol-2-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4108-0787
N-(1-benzyl-1H-1,3-benzodiazol-2-yl)cyclohexanecarboxamide

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

4108-0787

Molecular Formula

C21H23N3O (C21 H23 N3 O)

Compound Name

N-(1-benzyl-1H-1,3-benzodiazol-2-yl)cyclohexanecarboxamide

IUPAC name

N-(1-benzyl-1H-13-benzodiazol-2-yl)cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C21H23N3O/c25-20(17-11-5-2-6-12-17)23-21-22-18-13-7-8-14-19(18)24(21)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17H,2,5-6,11-12,15H2,(H,22,23,25)

InChI Key

ICBNVIWIZLASQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02924643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.815

Distribution Coefficient, logD

4.815

Water Solubility, LogSw

-4.75

Polar Surface Area

35.358

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

4108-0787 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • Kinases
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4108-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4108-0787?
Check Price and Availability of 4108-0787, 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 4108-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4108-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4108-0787
  • 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 4108-0787 available by request