E514-0049 Screening compound: 4-{4-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)methyl]-5-methyl-1,3-oxazol-2-yl}-2-methoxyphenyl methyl ether

E514-0049 Screening compound: 4-{4-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)methyl]-5-methyl-1,3-oxazol-2-yl}-2-methoxyphenyl methyl ether
E514-0049 Screening compound: 4-{4-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)methyl]-5-methyl-1,3-oxazol-2-yl}-2-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound E514-0049
4-{4-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)methyl]-5-methyl-1,3-oxazol-2-yl}-2-methoxyphenyl methyl ether

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

E514-0049

Molecular Formula

C21H18N4O4S (C21 H18 N4 O4 S)

Compound Name

4-{4-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)methyl]-5-methyl-1,3-oxazol-2-yl}-2-methoxyphenyl methyl ether

IUPAC name

9-({[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-5-oxa-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

Cc1c(CSc2nncn3c2cc2c3cco2)nc(-c(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C21H18N4O4S/c1-12-14(23-20(29-12)13-4-5-17(26-2)19(8-13)27-3)10-30-21-16-9-18-15(6-7-28-18)25(16)11-22-24-21/h4-9,11H,10H2,1-3H3

InChI Key

JDONZPYZXBEYAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.117

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.12

Polar Surface Area

62.780

Acid Dissociation Constant (pKa)

28.33

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E514-0049 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with E514-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0049?
Check Price and Availability of E514-0049, 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 E514-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0049
  • 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 E514-0049 available by request