E513-0841 Screening compound: 5-methyl-8-[(4-vinylbenzyl)sulfanyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine

E513-0841 Screening compound: 5-methyl-8-[(4-vinylbenzyl)sulfanyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine
E513-0841 Screening compound: 5-methyl-8-[(4-vinylbenzyl)sulfanyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-0841
5-methyl-8-[(4-vinylbenzyl)sulfanyl]thieno[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

E513-0841

Molecular Formula

C18H15N3S2 (C18 H15 N3 S2)

Compound Name

5-methyl-8-[(4-vinylbenzyl)sulfanyl]thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazine

IUPAC name

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

SMILES

Cc(n1c2cc3c1ccs3)nnc2SCc1ccc(C=C)cc1

InChI

InChI=1S/C18H15N3S2/c1-3-13-4-6-14(7-5-13)11-23-18-16-10-17-15(8-9-22-17)21(16)12(2)19-20-18/h3-10H,1,11H2,2H3

InChI Key

PONGPXBIADNMRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.029

Water Solubility, LogSw

-4.07

Polar Surface Area

22.114

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

E513-0841 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E513-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0841?
Check Price and Availability of E513-0841, 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 E513-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0841
  • 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 E513-0841 available by request