4489-3534 Screening compound: 4-[4-(benzyloxy)-3-ethoxybenzenecarbothioyl]morpholine

4489-3534 Screening compound: 4-[4-(benzyloxy)-3-ethoxybenzenecarbothioyl]morpholine
4489-3534 Screening compound: 4-[4-(benzyloxy)-3-ethoxybenzenecarbothioyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-3534
4-[4-(benzyloxy)-3-ethoxybenzenecarbothioyl]morpholine

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

4489-3534

Molecular Formula

C20H23NO3S (C20 H23 NO3 S)

Compound Name

4-[4-(benzyloxy)-3-ethoxybenzenecarbothioyl]morpholine

IUPAC name

4-[4-(benzyloxy)-3-ethoxybenzenecarbothioyl]morpholine

SMILES

CCOc(cc(cc1)C(N2CCOCC2)=S)c1OCc1ccccc1

InChI

InChI=1S/C20H23NO3S/c1-2-23-19-14-17(20(25)21-10-12-22-13-11-21)8-9-18(19)24-15-16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3

InChI Key

LQNFBYHBKIKRFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.551

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-3.73

Polar Surface Area

24.620

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4489-3534 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4489-3534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-3534?
Check Price and Availability of 4489-3534, 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 4489-3534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-3534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-3534
  • 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 4489-3534 available by request