E757-0213 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide

E757-0213 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide
E757-0213 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E757-0213
4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}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

E757-0213

Molecular Formula

C23H25N3O3S2 (C23 H25 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CSc1ccc(CCNC(c2ccc(CN(CC(N3C4CSC3)=O)C4=O)cc2)=O)cc1

InChI

InChI=1S/C23H25N3O3S2/c1-30-19-8-4-16(5-9-19)10-11-24-22(28)18-6-2-17(3-7-18)12-25-13-21(27)26-15-31-14-20(26)23(25)29/h2-9,20H,10-15H2,1H3,(H,24,28)/t20-/m1/s1

InChI Key

ZETKKVKLKMZUPX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14916443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.075

Distribution Coefficient, logD

2.075

Water Solubility, LogSw

-2.75

Polar Surface Area

57.912

Acid Dissociation Constant (pKa)

12.97

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

E757-0213 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E757-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E757-0213?
Check Price and Availability of E757-0213, 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 E757-0213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E757-0213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E757-0213
  • 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 E757-0213 available by request