E513-1152 Screening compound: 4-{[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]methyl}phenyl methyl ether

E513-1152 Screening compound: 4-{[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]methyl}phenyl methyl ether
E513-1152 Screening compound: 4-{[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]methyl}phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-1152
4-{[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]methyl}phenyl 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

E513-1152

Molecular Formula

C19H19N3OS2 (C19 H19 N3 OS2)

Compound Name

4-{[(5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]methyl}phenyl methyl ether

IUPAC name

12-ethyl-9-{[(4-methoxyphenyl)methyl]sulfanyl}-4-methyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

CCc(n1c2cc3c1cc(C)s3)nnc2SCc(cc1)ccc1OC

InChI

InChI=1S/C19H19N3OS2/c1-4-18-20-21-19(24-11-13-5-7-14(23-3)8-6-13)16-10-17-15(22(16)18)9-12(2)25-17/h5-10H,4,11H2,1-3H3

InChI Key

LIEHEOGDFVXHPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893583

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.48

Polar Surface Area

29.857

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

E513-1152 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E513-1152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-1152?
Check Price and Availability of E513-1152, 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 E513-1152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-1152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-1152
  • 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 E513-1152 available by request