E727-1363 Screening compound: ethyl 4-[2-(methylsulfanyl)-4-propylpyrimidine-5-amido]benzoate

E727-1363 Screening compound: ethyl 4-[2-(methylsulfanyl)-4-propylpyrimidine-5-amido]benzoate
E727-1363 Screening compound: ethyl 4-[2-(methylsulfanyl)-4-propylpyrimidine-5-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E727-1363
ethyl 4-[2-(methylsulfanyl)-4-propylpyrimidine-5-amido]benzoate

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

E727-1363

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

ethyl 4-[2-(methylsulfanyl)-4-propylpyrimidine-5-amido]benzoate

IUPAC name

ethyl 4-[2-(methylsulfanyl)-4-propylpyrimidine-5-amido]benzoate

SMILES

CCCc(nc(nc1)SC)c1C(Nc(cc1)ccc1C(OCC)=O)=O

InChI

InChI=1S/C18H21N3O3S/c1-4-6-15-14(11-19-18(21-15)25-3)16(22)20-13-9-7-12(8-10-13)17(23)24-5-2/h7-11H,4-6H2,1-3H3,(H,20,22)

InChI Key

AKOJKQCRPCRBBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.177

Distribution Coefficient, logD

4.139

Water Solubility, LogSw

-4.06

Polar Surface Area

63.164

Acid Dissociation Constant (pKa)

8.44

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E727-1363 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E727-1363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E727-1363?
Check Price and Availability of E727-1363, 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 E727-1363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E727-1363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E727-1363
  • 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 E727-1363 available by request