E513-0980 Screening compound: 2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide

E513-0980 Screening compound: 2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide
E513-0980 Screening compound: 2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[3-(methylsulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-0980
2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]-N~1~-[3-(methylsulfanyl)phenyl]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

E513-0980

Molecular Formula

C19H18N4OS3 (C19 H18 N4 OS3)

Compound Name

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

IUPAC name

2-({12-ethyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaen-9-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide

SMILES

CCc(n1c2cc3c1ccs3)nnc2SCC(Nc1cc(SC)ccc1)=O

InChI

InChI=1S/C19H18N4OS3/c1-3-17-21-22-19(15-10-16-14(23(15)17)7-8-26-16)27-11-18(24)20-12-5-4-6-13(9-12)25-2/h4-10H,3,11H2,1-2H3,(H,20,24)

InChI Key

SSRLYOCCWANOPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.199

Water Solubility, LogSw

-4.19

Polar Surface Area

45.463

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with E513-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0980?
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What is the minimum amount of E513-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0980
  • 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 E513-0980 available by request