E727-1020 Screening compound: N-cycloheptyl-4-ethyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide

E727-1020 Screening compound: N-cycloheptyl-4-ethyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide
E727-1020 Screening compound: N-cycloheptyl-4-ethyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-1020
N-cycloheptyl-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

E727-1020

Molecular Formula

C15H23N3OS (C15 H23 N3 OS)

Compound Name

N-cycloheptyl-4-ethyl-2-(methylsulfanyl)-5-pyrimidinecarboxamide

IUPAC name

N-cycloheptyl-4-ethyl-2-(methylsulfanyl)pyrimidine-5-carboxamide

SMILES

CCc(nc(nc1)SC)c1C(NC1CCCCCC1)=O

InChI

InChI=1S/C15H23N3OS/c1-3-13-12(10-16-15(18-13)20-2)14(19)17-11-8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3,(H,17,19)

InChI Key

GTOLOOQOPJSYOL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.854

Distribution Coefficient, logD

3.854

Water Solubility, LogSw

-3.81

Polar Surface Area

43.789

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

E727-1020 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E727-1020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-1020?
Check Price and Availability of E727-1020, 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 E727-1020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-1020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-1020
  • 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 E727-1020 available by request