8015-3914 Screening compound: ethyl 1-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate

8015-3914 Screening compound: ethyl 1-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate
8015-3914 Screening compound: ethyl 1-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3914
ethyl 1-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate

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

8015-3914

Molecular Formula

C24H30N8O2 (C24 H30 N8 O2)

Compound Name

ethyl 1-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

ethyl 1-[46-bis(piperidin-1-yl)-135-triazin-2-yl]-5-phenyl-1H-123-triazole-4-carboxylate

SMILES

CCOC(c1c(-c2ccccc2)n(-c2nc(N3CCCCC3)nc(N3CCCCC3)n2)nn1)=O

InChI

InChI=1S/C24H30N8O2/c1-2-34-21(33)19-20(18-12-6-3-7-13-18)32(29-28-19)24-26-22(30-14-8-4-9-15-30)25-23(27-24)31-16-10-5-11-17-31/h3,6-7,12-13H,2,4-5,8-11,14-17H2,1H3

InChI Key

CURNMGNNWIQIHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.708

Distribution Coefficient, logD

5.708

Water Solubility, LogSw

-5.43

Polar Surface Area

80.145

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

2.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8015-3914 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8015-3914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3914?
Check Price and Availability of 8015-3914, 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 8015-3914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3914
  • 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 8015-3914 available by request