Y041-0794 Screening compound: trans-N-(1-benzylpiperidin-4-yl)-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide

Y041-0794 Screening compound: trans-N-(1-benzylpiperidin-4-yl)-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide
Y041-0794 Screening compound: trans-N-(1-benzylpiperidin-4-yl)-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0794
trans-N-(1-benzylpiperidin-4-yl)-4-(1H-tetrazol-1-ylmethyl)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

Y041-0794

Molecular Formula

C21H30N6O (C21 H30 N6 O)

Compound Name

trans-N-(1-benzylpiperidin-4-yl)-4-(1H-tetrazol-1-ylmethyl)cyclohexanecarboxamide

IUPAC name

(1r4r)-N-(1-benzylpiperidin-4-yl)-4-[(1H-1234-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

SMILES

O=C([C@H]1CC[C@H](Cn2nnnc2)CC1)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C21H30N6O/c28-21(19-8-6-18(7-9-19)15-27-16-22-24-25-27)23-20-10-12-26(13-11-20)14-17-4-2-1-3-5-17/h1-5,16,18-20H,6-15H2,(H,23,28)

InChI Key

CFOZSUCGWGPVGW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

0.913

Water Solubility, LogSw

-2.56

Polar Surface Area

68.023

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

Y041-0794 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-0794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0794?
Check Price and Availability of Y041-0794, 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 Y041-0794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0794
  • 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 Y041-0794 available by request