8013-3120 Screening compound: ethyl 1-[4-methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate

8013-3120 Screening compound: ethyl 1-[4-methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate
8013-3120 Screening compound: ethyl 1-[4-methoxy-6-(morpholin-4-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 8013-3120
ethyl 1-[4-methoxy-6-(morpholin-4-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

8013-3120

Molecular Formula

C19H21N7O4 (C19 H21 N7 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(-c2ccccc2)nnn1-c1nc(OC)nc(N2CCOCC2)n1)=O

InChI

InChI=1S/C19H21N7O4/c1-3-30-16(27)15-14(13-7-5-4-6-8-13)23-24-26(15)18-20-17(21-19(22-18)28-2)25-9-11-29-12-10-25/h4-8H,3,9-12H2,1-2H3

InChI Key

IRJOBXRYLBNAKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03765969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

3.043

Water Solubility, LogSw

-2.96

Polar Surface Area

93.019

Acid Dissociation Constant (pKa)

18.98

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8013-3120 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-3120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3120?
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What is the minimum amount of 8013-3120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3120
  • 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 8013-3120 available by request