3405-0122 Screening compound: 2-methoxy-5-(morpholine-4-carbothioyl)phenyl 3,4,5-trimethoxybenzoate

3405-0122 Screening compound: 2-methoxy-5-(morpholine-4-carbothioyl)phenyl 3,4,5-trimethoxybenzoate
3405-0122 Screening compound: 2-methoxy-5-(morpholine-4-carbothioyl)phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3405-0122
2-methoxy-5-(morpholine-4-carbothioyl)phenyl 3,4,5-trimethoxybenzoate

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

3405-0122

Molecular Formula

C22H25NO7S (C22 H25 NO7 S)

Compound Name

2-methoxy-5-(morpholine-4-carbothioyl)phenyl 3,4,5-trimethoxybenzoate

IUPAC name

2-methoxy-5-(morpholine-4-carbothioyl)phenyl 345-trimethoxybenzoate

SMILES

COc(ccc(C(N1CCOCC1)=S)c1)c1OC(c(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C22H25NO7S/c1-25-16-6-5-14(21(31)23-7-9-29-10-8-23)11-17(16)30-22(24)15-12-18(26-2)20(28-4)19(13-15)27-3/h5-6,11-13H,7-10H2,1-4H3

InChI Key

IKWYEIBWZCRATN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.909

Water Solubility, LogSw

-3.32

Polar Surface Area

61.168

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

3405-0122 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3405-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3405-0122?
Check Price and Availability of 3405-0122, 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 3405-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3405-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3405-0122
  • 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 3405-0122 available by request