V009-5112 Screening compound: 8-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

V009-5112 Screening compound: 8-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
V009-5112 Screening compound: 8-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-5112
8-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]-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

V009-5112

Molecular Formula

C21H22N4O4 (C21 H22 N4 O4)

Compound Name

8-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-1,2,4-triazole-3-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[5-(furan-3-yl)-1-(4-methylphenyl)-1H-124-triazole-3-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc(cc1)ccc1-n1nc(C(N(CC2)CCC22OCCO2)=O)nc1-c1cocc1

InChI

InChI=1S/C21H22N4O4/c1-15-2-4-17(5-3-15)25-19(16-6-11-27-14-16)22-18(23-25)20(26)24-9-7-21(8-10-24)28-12-13-29-21/h2-6,11,14H,7-10,12-13H2,1H3

InChI Key

ZFZUGMCLICWERV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14287384

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

394.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.663

Distribution Coefficient, logD

2.663

Water Solubility, LogSw

-2.74

Polar Surface Area

62.778

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

V009-5112 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with V009-5112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-5112?
Check Price and Availability of V009-5112, 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 V009-5112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-5112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-5112
  • 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 V009-5112 available by request