E514-0653 Screening compound: 2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide

E514-0653 Screening compound: 2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide
E514-0653 Screening compound: 2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[2-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0653
2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[2-(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

E514-0653

Molecular Formula

C19H15F3N4O2S (C19 H15 F3 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(n1c2cc3c1cco3)nnc2SCC(Nc1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C19H15F3N4O2S/c1-2-16-24-25-18(14-9-15-13(26(14)16)7-8-28-15)29-10-17(27)23-12-6-4-3-5-11(12)19(20,21)22/h3-9H,2,10H2,1H3,(H,23,27)

InChI Key

MITPGNNAWUZUBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.42

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

3.632

Distribution Coefficient, logD

3.630

Water Solubility, LogSw

-3.89

Polar Surface Area

52.219

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with E514-0653 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0653?
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What is the minimum amount of E514-0653 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0653
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0653
  • 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 E514-0653 available by request