E757-0182 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide

E757-0182 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
E757-0182 Screening compound: 4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E757-0182
4-({5,8-dioxo-hexahydro-1H-[1,3]thiazolo[3,4-a]pyrazin-7-yl}methyl)-N-[3-(4-ethylpiperazin-1-yl)propyl]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

E757-0182

Molecular Formula

C23H33N5O3S (C23 H33 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN1CCN(CCCNC(c2ccc(CN(CC(N3C4CSC3)=O)C4=O)cc2)=O)CC1

InChI

InChI=1S/C23H33N5O3S/c1-2-25-10-12-26(13-11-25)9-3-8-24-22(30)19-6-4-18(5-7-19)14-27-15-21(29)28-17-32-16-20(28)23(27)31/h4-7,20H,2-3,8-17H2,1H3,(H,24,30)/t20-/m1/s1

InChI Key

VUYBBJRNOBSICB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14916437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.124

Distribution Coefficient, logD

-1.072

Water Solubility, LogSw

-2.16

Polar Surface Area

65.431

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.90

E757-0182 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E757-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E757-0182?
Check Price and Availability of E757-0182, 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 E757-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E757-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E757-0182
  • 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 E757-0182 available by request