E727-1178 Screening compound: N~5~-[2-(4-benzylpiperazino)ethyl]-4-ethyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide

E727-1178 Screening compound: N~5~-[2-(4-benzylpiperazino)ethyl]-4-ethyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide
E727-1178 Screening compound: N~5~-[2-(4-benzylpiperazino)ethyl]-4-ethyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-1178
N~5~-[2-(4-benzylpiperazino)ethyl]-4-ethyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide

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

E727-1178

Molecular Formula

C21H29N5OS (C21 H29 N5 OS)

Compound Name

N~5~-[2-(4-benzylpiperazino)ethyl]-4-ethyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide

IUPAC name

n/a

SMILES

CCc(nc(nc1)SC)c1C(NCCN1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C21H29N5OS/c1-3-19-18(15-23-21(24-19)28-2)20(27)22-9-10-25-11-13-26(14-12-25)16-17-7-5-4-6-8-17/h4-8,15H,3,9-14,16H2,1-2H3,(H,22,27)

InChI Key

HFADRFCUDOQXQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.499

Distribution Coefficient, logD

2.361

Water Solubility, LogSw

-2.92

Polar Surface Area

51.097

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E727-1178 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 E727-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-1178?
Check Price and Availability of E727-1178, 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 E727-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-1178
  • 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 E727-1178 available by request