8013-3124 Screening compound: ethyl 1-[4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate

8013-3124 Screening compound: ethyl 1-[4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate
8013-3124 Screening compound: ethyl 1-[4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3124
ethyl 1-[4-ethoxy-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-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

8013-3124

Molecular Formula

C21H25N7O3 (C21 H25 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(-c2ccccc2)nnn1-c1nc(OCC)nc(N2CCCCC2)n1)=O

InChI

InChI=1S/C21H25N7O3/c1-3-30-18(29)17-16(15-11-7-5-8-12-15)25-26-28(17)20-22-19(23-21(24-20)31-4-2)27-13-9-6-10-14-27/h5,7-8,11-12H,3-4,6,9-10,13-14H2,1-2H3

InChI Key

TUSPHNIBXFMXQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.23

Polar Surface Area

84.690

Acid Dissociation Constant (pKa)

18.59

Base Dissociation Constant (pKb)

7.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

8013-3124 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-3124 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3124?
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What is the minimum amount of 8013-3124 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3124
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3124
  • 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 8013-3124 available by request