8013-6256 Screening compound: ethyl 1-[4-(ethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylate

8013-6256 Screening compound: ethyl 1-[4-(ethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylate
8013-6256 Screening compound: ethyl 1-[4-(ethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-6256
ethyl 1-[4-(ethylamino)-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-5-methyl-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

8013-6256

Molecular Formula

C16H24N8O2 (C16 H24 N8 O2)

Compound Name

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

IUPAC name

ethyl 1-[4-(ethylamino)-6-(piperidin-1-yl)-135-triazin-2-yl]-5-methyl-1H-123-triazole-4-carboxylate

SMILES

CCNc1nc(-n2nnc(C(OCC)=O)c2C)nc(N2CCCCC2)n1

InChI

InChI=1S/C16H24N8O2/c1-4-17-14-18-15(23-9-7-6-8-10-23)20-16(19-14)24-11(3)12(21-22-24)13(25)26-5-2/h4-10H2,1-3H3,(H,17,18,19,20)

InChI Key

PTTZWMAPUPTDKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03767112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-3.03

Polar Surface Area

90.274

Acid Dissociation Constant (pKa)

17.83

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

8013-6256 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 8013-6256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-6256?
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What is the minimum amount of 8013-6256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-6256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-6256
  • 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 8013-6256 available by request