Y040-5179 Screening compound: 8-[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

Y040-5179 Screening compound: 8-[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane
Y040-5179 Screening compound: 8-[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-5179
8-[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

Y040-5179

Molecular Formula

C15H16ClN5O3 (C15 H16 ClN5 O3)

Compound Name

8-[4-chloro-2-(1H-1,2,3,4-tetrazol-1-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[4-chloro-2-(1H-1234-tetrazol-1-yl)benzoyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c(ccc(Cl)c1)c1-n1nnnc1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C15H16ClN5O3/c16-11-1-2-12(13(9-11)21-10-17-18-19-21)14(22)20-5-3-15(4-6-20)23-7-8-24-15/h1-2,9-10H,3-8H2

InChI Key

KUHKRFJSDSHPDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12208956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.056

Distribution Coefficient, logD

1.056

Water Solubility, LogSw

-2.77

Polar Surface Area

70.788

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

Y040-5179 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)

New Agro Library (44492 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
Targets:
  • GPCR
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y040-5179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-5179?
Check Price and Availability of Y040-5179, 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 Y040-5179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-5179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-5179
  • 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 Y040-5179 available by request