V001-3054 Screening compound: N-cyclohexyl-1-[1-(cyclohexylmethyl)-1H-1,3-benzodiazol-2-yl]piperidine-4-carboxamide

V001-3054 Screening compound: N-cyclohexyl-1-[1-(cyclohexylmethyl)-1H-1,3-benzodiazol-2-yl]piperidine-4-carboxamide
V001-3054 Screening compound: N-cyclohexyl-1-[1-(cyclohexylmethyl)-1H-1,3-benzodiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-3054
N-cyclohexyl-1-[1-(cyclohexylmethyl)-1H-1,3-benzodiazol-2-yl]piperidine-4-carboxamide

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

V001-3054

Molecular Formula

C26H38N4O (C26 H38 N4 O)

Compound Name

N-cyclohexyl-1-[1-(cyclohexylmethyl)-1H-1,3-benzodiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-cyclohexyl-1-[1-(cyclohexylmethyl)-1H-13-benzodiazol-2-yl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1nc(cccc2)c2n1CC1CCCCC1)NC1CCCCC1

InChI

InChI=1S/C26H38N4O/c31-25(27-22-11-5-2-6-12-22)21-15-17-29(18-16-21)26-28-23-13-7-8-14-24(23)30(26)19-20-9-3-1-4-10-20/h7-8,13-14,20-22H,1-6,9-12,15-19H2,(H,27,31)

InChI Key

KTHOKUQXFIEPPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19968688

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

422.61

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.122

Distribution Coefficient, logD

6.115

Water Solubility, LogSw

-5.85

Polar Surface Area

37.491

Acid Dissociation Constant (pKa)

15.04

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

V001-3054 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V001-3054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-3054?
Check Price and Availability of V001-3054, 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 V001-3054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-3054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-3054
  • 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 V001-3054 available by request