E514-0062 Screening compound: 8-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine

E514-0062 Screening compound: 8-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
E514-0062 Screening compound: 8-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0062
8-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine

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

E514-0062

Molecular Formula

C20H16N4O2S (C20 H16 N4 O2 S)

Compound Name

8-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine

IUPAC name

9-({[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methyl}sulfanyl)-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

Cc1c(CSc2nncn3c2cc2c3cco2)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C20H16N4O2S/c1-12-3-5-14(6-4-12)19-22-15(13(2)26-19)10-27-20-17-9-18-16(7-8-25-18)24(17)11-21-23-20/h3-9,11H,10H2,1-2H3

InChI Key

OUWXYKRZCCJWQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.996

Distribution Coefficient, logD

3.996

Water Solubility, LogSw

-4.09

Polar Surface Area

47.519

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E514-0062 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with E514-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0062?
Check Price and Availability of E514-0062, 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 E514-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0062
  • 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 E514-0062 available by request