E514-0473 Screening compound: 2,5-dimethyl-8-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine

E514-0473 Screening compound: 2,5-dimethyl-8-{[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]sulfanyl}furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
E514-0473 Screening compound: 2,5-dimethyl-8-{[(5-methyl-2-phenyl-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 E514-0473
2,5-dimethyl-8-{[(5-methyl-2-phenyl-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

E514-0473

Molecular Formula

C21H18N4O2S (C21 H18 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(n(c2c3)c(C)nnc2SCc2c(C)oc(-c4ccccc4)n2)c3o1

InChI

InChI=1S/C21H18N4O2S/c1-12-9-17-19(26-12)10-18-21(24-23-14(3)25(17)18)28-11-16-13(2)27-20(22-16)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3

InChI Key

MCNCDLIXWOVMHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

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

4.161

Distribution Coefficient, logD

4.158

Water Solubility, LogSw

-4.30

Polar Surface Area

47.204

Acid Dissociation Constant (pKa)

26.42

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E514-0473 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E514-0473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E514-0473?
Check Price and Availability of E514-0473, 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 E514-0473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E514-0473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E514-0473
  • 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 E514-0473 available by request