E513-1006 Screening compound: 2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-phenethylacetamide

E513-1006 Screening compound: 2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-phenethylacetamide
E513-1006 Screening compound: 2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-1006
2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-phenethylacetamide

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

E513-1006

Molecular Formula

C20H20N4OS2 (C20 H20 N4 OS2)

Compound Name

2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-phenethylacetamide

IUPAC name

2-({12-ethyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)-N-(2-phenylethyl)acetamide

SMILES

CCc(n1c2cc3c1ccs3)nnc2SCC(NCCc1ccccc1)=O

InChI

InChI=1S/C20H20N4OS2/c1-2-18-22-23-20(16-12-17-15(24(16)18)9-11-26-17)27-13-19(25)21-10-8-14-6-4-3-5-7-14/h3-7,9,11-12H,2,8,10,13H2,1H3,(H,21,25)

InChI Key

VULNGEAOMMGKIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

3.194

Water Solubility, LogSw

-3.31

Polar Surface Area

46.627

Acid Dissociation Constant (pKa)

14.58

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with E513-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-1006?
Check Price and Availability of E513-1006, 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 E513-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-1006
  • 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 E513-1006 available by request