E513-0026 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide

E513-0026 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide
E513-0026 Screening compound: N~1~-(3,4-dimethoxyphenyl)-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-0026
N~1~-(3,4-dimethoxyphenyl)-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide

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

E513-0026

Molecular Formula

C18H16N4O3S2 (C18 H16 N4 O3 S2)

Compound Name

N~1~-(3,4-dimethoxyphenyl)-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)acetamide

IUPAC name

N-(34-dimethoxyphenyl)-2-{5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-ylsulfanyl}acetamide

SMILES

COc(ccc(NC(CSc1nncn2c1cc1c2ccs1)=O)c1)c1OC

InChI

InChI=1S/C18H16N4O3S2/c1-24-14-4-3-11(7-15(14)25-2)20-17(23)9-27-18-13-8-16-12(5-6-26-16)22(13)10-19-21-18/h3-8,10H,9H2,1-2H3,(H,20,23)

InChI Key

NXGNFNAXUJDMDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-2.96

Polar Surface Area

60.353

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with E513-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0026?
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What is the minimum amount of E513-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0026
  • 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 E513-0026 available by request