E757-0096 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-(2-methoxyethyl)benzamide

E757-0096 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-(2-methoxyethyl)benzamide
E757-0096 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E757-0096
4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-(2-methoxyethyl)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

E757-0096

Molecular Formula

C17H21N3O4S (C17 H21 N3 O4 S)

Compound Name

4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-(2-methoxyethyl)benzamide

IUPAC name

4-({58-dioxo-hexahydro-1H-[13]thiazolo[34-a]pyrazin-7-yl}methyl)-N-(2-methoxyethyl)benzamide

SMILES

COCCNC(c1ccc(CN(CC(N2C3CSC2)=O)C3=O)cc1)=O

InChI

InChI=1S/C17H21N3O4S/c1-24-7-6-18-16(22)13-4-2-12(3-5-13)8-19-9-15(21)20-11-25-10-14(20)17(19)23/h2-5,14H,6-11H2,1H3,(H,18,22)/t14-/m1/s1

InChI Key

VJZVGHHJIUDIDU-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14916430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.085

Distribution Coefficient, logD

-0.085

Water Solubility, LogSw

-2.16

Polar Surface Area

66.526

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

-2.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

E757-0096 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E757-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E757-0096?
Check Price and Availability of E757-0096, 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 E757-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E757-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E757-0096
  • 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 E757-0096 available by request