E727-0441 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide

E727-0441 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
E727-0441 Screening compound: N-(1-benzylpiperidin-4-yl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-0441
N-(1-benzylpiperidin-4-yl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide

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

E727-0441

Molecular Formula

C24H26N4OS (C24 H26 N4 OS)

Compound Name

N-(1-benzylpiperidin-4-yl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide

IUPAC name

N-(1-benzylpiperidin-4-yl)-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide

SMILES

CSc(nc1)nc(-c2ccccc2)c1C(NC1CCN(Cc2ccccc2)CC1)=O

InChI

InChI=1S/C24H26N4OS/c1-30-24-25-16-21(22(27-24)19-10-6-3-7-11-19)23(29)26-20-12-14-28(15-13-20)17-18-8-4-2-5-9-18/h2-11,16,20H,12-15,17H2,1H3,(H,26,29)

InChI Key

DKSCPICDRKYLTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14912990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.109

Distribution Coefficient, logD

2.664

Water Solubility, LogSw

-4.01

Polar Surface Area

46.231

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E727-0441 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

CNS Targets (44014 compounds)

GABA Library (7115 compounds)

Akt-Targeted Library (14764 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E727-0441 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-0441?
Check Price and Availability of E727-0441, 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 E727-0441 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-0441
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-0441
  • 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 E727-0441 available by request