E727-0490 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide

E727-0490 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide
E727-0490 Screening compound: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-0490
N-[2-(3,4-diethoxyphenyl)ethyl]-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

E727-0490

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

N-[2-(3,4-diethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-(methylsulfanyl)-4-phenylpyrimidine-5-carboxamide

SMILES

CCOc(ccc(CCNC(c(cn1)c(-c2ccccc2)nc1SC)=O)c1)c1OCC

InChI

InChI=1S/C24H27N3O3S/c1-4-29-20-12-11-17(15-21(20)30-5-2)13-14-25-23(28)19-16-26-24(31-3)27-22(19)18-9-7-6-8-10-18/h6-12,15-16H,4-5,13-14H2,1-3H3,(H,25,28)

InChI Key

JNTXOIIDLYBONA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-3.82

Polar Surface Area

57.228

Acid Dissociation Constant (pKa)

13.52

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

E727-0490 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E727-0490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-0490?
Check Price and Availability of E727-0490, 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 E727-0490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-0490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-0490
  • 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 E727-0490 available by request