E757-0018 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-[(pyridin-3-yl)methyl]benzamide

E757-0018 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
E757-0018 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E757-0018
4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-[(pyridin-3-yl)methyl]benzamide

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

E757-0018

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-[(pyridin-3-yl)methyl]benzamide

IUPAC name

4-({58-dioxo-hexahydro-1H-[13]thiazolo[34-a]pyrazin-7-yl}methyl)-N-[(pyridin-3-yl)methyl]benzamide

SMILES

O=C(c1ccc(CN(CC(N2C3CSC2)=O)C3=O)cc1)NCc1cnccc1

InChI

InChI=1S/C20H20N4O3S/c25-18-11-23(20(27)17-12-28-13-24(17)18)10-14-3-5-16(6-4-14)19(26)22-9-15-2-1-7-21-8-15/h1-8,17H,9-13H2,(H,22,26)/t17-/m1/s1

InChI Key

XCWUJZMPTQOHCU-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14916407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.194

Distribution Coefficient, logD

0.194

Water Solubility, LogSw

-1.65

Polar Surface Area

67.588

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

E757-0018 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E757-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E757-0018?
Check Price and Availability of E757-0018, 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 E757-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E757-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E757-0018
  • 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 E757-0018 available by request