E727-0620 Screening compound: 2-(methylsulfanyl)-4-phenyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrimidine

E727-0620 Screening compound: 2-(methylsulfanyl)-4-phenyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrimidine
E727-0620 Screening compound: 2-(methylsulfanyl)-4-phenyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-0620
2-(methylsulfanyl)-4-phenyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrimidine

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

E727-0620

Molecular Formula

C21H21N5OS (C21 H21 N5 OS)

Compound Name

2-(methylsulfanyl)-4-phenyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrimidine

IUPAC name

2-(methylsulfanyl)-4-phenyl-5-[4-(pyridin-2-yl)piperazine-1-carbonyl]pyrimidine

SMILES

CSc(nc1)nc(-c2ccccc2)c1C(N(CC1)CCN1c1ncccc1)=O

InChI

InChI=1S/C21H21N5OS/c1-28-21-23-15-17(19(24-21)16-7-3-2-4-8-16)20(27)26-13-11-25(12-14-26)18-9-5-6-10-22-18/h2-10,15H,11-14H2,1H3

InChI Key

HSWAWMQYUXDFTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913025

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.424

Distribution Coefficient, logD

3.415

Water Solubility, LogSw

-3.53

Polar Surface Area

46.972

Acid Dissociation Constant (pKa)

24.69

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E727-0620 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Antibacterial Compounds Library (13827 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels

References: we are preparing a list of scientific research reports with E727-0620 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-0620?
Check Price and Availability of E727-0620, 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 E727-0620 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-0620
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-0620
  • 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 E727-0620 available by request