E514-0859 Screening compound: 2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

E514-0859 Screening compound: 2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide
E514-0859 Screening compound: 2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0859
2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

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

E514-0859

Molecular Formula

C20H17F3N4O2S (C20 H17 F3 N4 O2 S)

Compound Name

2-[(5-ethyl-2-methylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[3-(trifluoromethyl)phenyl]acetamide

IUPAC name

2-({12-ethyl-4-methyl-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide

SMILES

CCc(n1c2cc3c1cc(C)o3)nnc2SCC(Nc1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C20H17F3N4O2S/c1-3-17-25-26-19(15-9-16-14(27(15)17)7-11(2)29-16)30-10-18(28)24-13-6-4-5-12(8-13)20(21,22)23/h4-9H,3,10H2,1-2H3,(H,24,28)

InChI Key

NYTKRBXYRXBGPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.705

Distribution Coefficient, logD

4.702

Water Solubility, LogSw

-4.46

Polar Surface Area

52.431

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

E514-0859 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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 E514-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0859?
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What is the minimum amount of E514-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0859
  • 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 E514-0859 available by request