8020-1891 Screening compound: 1-[2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)thiourea

8020-1891 Screening compound: 1-[2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)thiourea
8020-1891 Screening compound: 1-[2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1891
1-[2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)thiourea

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

8020-1891

Molecular Formula

C19H24N2O4S (C19 H24 N2 O4 S)

Compound Name

1-[2-(3-methoxyphenyl)ethyl]-3-(3,4,5-trimethoxyphenyl)thiourea

IUPAC name

1-[2-(3-methoxyphenyl)ethyl]-3-(345-trimethoxyphenyl)thiourea

SMILES

COc1cccc(CCNC(Nc(cc2OC)cc(OC)c2OC)=S)c1

InChI

InChI=1S/C19H24N2O4S/c1-22-15-7-5-6-13(10-15)8-9-20-19(26)21-14-11-16(23-2)18(25-4)17(12-14)24-3/h5-7,10-12H,8-9H2,1-4H3,(H2,20,21,26)

InChI Key

RNYVQCZIMYHAGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12035402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.649

Distribution Coefficient, logD

2.649

Water Solubility, LogSw

-3.06

Polar Surface Area

50.746

Acid Dissociation Constant (pKa)

12.11

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8020-1891 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8020-1891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1891?
Check Price and Availability of 8020-1891, 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 8020-1891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1891
  • 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 8020-1891 available by request