D073-0199 Screening compound: N-[2-(5-cyclohexaneamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]benzamide

D073-0199 Screening compound: N-[2-(5-cyclohexaneamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]benzamide
D073-0199 Screening compound: N-[2-(5-cyclohexaneamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D073-0199
N-[2-(5-cyclohexaneamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]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

D073-0199

Molecular Formula

C24H28N4O2 (C24 H28 N4 O2)

Compound Name

N-[2-(5-cyclohexaneamido-1-methyl-1H-1,3-benzodiazol-2-yl)ethyl]benzamide

IUPAC name

N-[2-(5-cyclohexaneamido-1-methyl-1H-13-benzodiazol-2-yl)ethyl]benzamide

SMILES

Cn1c(ccc(NC(C2CCCCC2)=O)c2)c2nc1CCNC(c1ccccc1)=O

InChI

InChI=1S/C24H28N4O2/c1-28-21-13-12-19(26-24(30)18-10-6-3-7-11-18)16-20(21)27-22(28)14-15-25-23(29)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,16,18H,3,6-7,10-11,14-15H2,1H3,(H,25,29)(H,26,30)

InChI Key

RGBADQJPUCECDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06591586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.417

Distribution Coefficient, logD

3.413

Water Solubility, LogSw

-3.76

Polar Surface Area

59.763

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D073-0199 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

GABA Library (7115 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Eye
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D073-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D073-0199?
Check Price and Availability of D073-0199, 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 D073-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D073-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D073-0199
  • 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 D073-0199 available by request