Y040-9330 Screening compound: N-(2-phenylethyl)-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

Y040-9330 Screening compound: N-(2-phenylethyl)-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide
Y040-9330 Screening compound: N-(2-phenylethyl)-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9330
N-(2-phenylethyl)-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-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

Y040-9330

Molecular Formula

C17H23N5O (C17 H23 N5 O)

Compound Name

N-(2-phenylethyl)-4-[(1H-1,2,3,4-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

IUPAC name

(1r4r)-N-(2-phenylethyl)-4-[(1H-1234-tetrazol-1-yl)methyl]cyclohexane-1-carboxamide

SMILES

O=C([C@H]1CC[C@H](Cn2nnnc2)CC1)NCCc1ccccc1

InChI

InChI=1S/C17H23N5O/c23-17(18-11-10-14-4-2-1-3-5-14)16-8-6-15(7-9-16)12-22-13-19-20-21-22/h1-5,13,15-16H,6-12H2,(H,18,23)

InChI Key

FWHBONQKFBSQES-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.290

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-2.61

Polar Surface Area

64.599

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

Y040-9330 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y040-9330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9330?
Check Price and Availability of Y040-9330, 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 Y040-9330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9330
  • 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 Y040-9330 available by request