E513-0977 Screening compound: 2-{[(5-ETHYLTHIENO[2',3':4,5]PYRROLO[1,2-D][1,2,4]TRIAZIN-8-YL)SULFANYL]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

E513-0977 Screening compound: 2-{[(5-ETHYLTHIENO[2',3':4,5]PYRROLO[1,2-D][1,2,4]TRIAZIN-8-YL)SULFANYL]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
E513-0977 Screening compound: 2-{[(5-ETHYLTHIENO[2',3':4,5]PYRROLO[1,2-D][1,2,4]TRIAZIN-8-YL)SULFANYL]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-0977
2-{[(5-ETHYLTHIENO[2',3':4,5]PYRROLO[1,2-D][1,2,4]TRIAZIN-8-YL)SULFANYL]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

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

E513-0977

Molecular Formula

C19H15N5OS2 (C19 H15 N5 OS2)

Compound Name

2-{[(5-ETHYLTHIENO[2',3':4,5]PYRROLO[1,2-D][1,2,4]TRIAZIN-8-YL)SULFANYL]METHYL}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

IUPAC name

n/a

SMILES

CCc(n1c2cc3c1ccs3)nnc2SCC(N=C1N2C=CC=C1)=CC2=O

InChI

InChI=1S/C19H15N5OS2/c1-2-16-21-22-19(14-10-15-13(24(14)16)6-8-26-15)27-11-12-9-18(25)23-7-4-3-5-17(23)20-12/h3-10H,2,11H2,1H3

InChI Key

KTFPEASSCIMTRO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.837

Distribution Coefficient, logD

2.836

Water Solubility, LogSw

-3.14

Polar Surface Area

48.300

Acid Dissociation Constant (pKa)

23.64

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

E513-0977 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 E513-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0977?
Check Price and Availability of E513-0977, 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 E513-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0977
  • 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 E513-0977 available by request