V030-9874 Screening compound: [4-(2,6-dimethyl-1H-1,3-benzimidazol-1-yl)piperidino](1-phenylcyclopropyl)methanone

V030-9874 Screening compound: [4-(2,6-dimethyl-1H-1,3-benzimidazol-1-yl)piperidino](1-phenylcyclopropyl)methanone
V030-9874 Screening compound: [4-(2,6-dimethyl-1H-1,3-benzimidazol-1-yl)piperidino](1-phenylcyclopropyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9874
[4-(2,6-dimethyl-1H-1,3-benzimidazol-1-yl)piperidino](1-phenylcyclopropyl)methanone

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

V030-9874

Molecular Formula

C24H27N3O (C24 H27 N3 O)

Compound Name

[4-(2,6-dimethyl-1H-1,3-benzimidazol-1-yl)piperidino](1-phenylcyclopropyl)methanone

IUPAC name

26-dimethyl-1-[1-(1-phenylcyclopropanecarbonyl)piperidin-4-yl]-1H-13-benzodiazole

SMILES

Cc1nc(ccc(C)c2)c2n1C(CC1)CCN1C(C1(CC1)c1ccccc1)=O

InChI

InChI=1S/C24H27N3O/c1-17-8-9-21-22(16-17)27(18(2)25-21)20-10-14-26(15-11-20)23(28)24(12-13-24)19-6-4-3-5-7-19/h3-9,16,20H,10-15H2,1-2H3

InChI Key

GXTNEUGVUADWEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19942736

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.201

Distribution Coefficient, logD

4.200

Water Solubility, LogSw

-4.23

Polar Surface Area

28.228

Acid Dissociation Constant (pKa)

21.04

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.67

V030-9874 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-9874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9874?
Check Price and Availability of V030-9874, 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 V030-9874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9874
  • 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 V030-9874 available by request