E514-0020 Screening compound: N~1~-(3,5-dimethylphenyl)-2-(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide

E514-0020 Screening compound: N~1~-(3,5-dimethylphenyl)-2-(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide
E514-0020 Screening compound: N~1~-(3,5-dimethylphenyl)-2-(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0020
N~1~-(3,5-dimethylphenyl)-2-(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)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

E514-0020

Molecular Formula

C18H16N4O2S (C18 H16 N4 O2 S)

Compound Name

N~1~-(3,5-dimethylphenyl)-2-(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide

IUPAC name

N-(35-dimethylphenyl)-2-{5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-ylsulfanyl}acetamide

SMILES

Cc1cc(NC(CSc2nncn3c2cc2c3cco2)=O)cc(C)c1

InChI

InChI=1S/C18H16N4O2S/c1-11-5-12(2)7-13(6-11)20-17(23)9-25-18-15-8-16-14(3-4-24-16)22(15)10-19-21-18/h3-8,10H,9H2,1-2H3,(H,20,23)

InChI Key

NULYOQQUAMSFRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.032

Distribution Coefficient, logD

3.031

Water Solubility, LogSw

-3.20

Polar Surface Area

52.546

Acid Dissociation Constant (pKa)

13.08

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E514-0020 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 E514-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0020?
Check Price and Availability of E514-0020, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E514-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0020
  • 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 E514-0020 available by request