4514-1905 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)thiourea

4514-1905 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)thiourea
4514-1905 Screening compound: 3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1905
3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)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

4514-1905

Molecular Formula

C18H22N2O3S (C18 H22 N2 O3 S)

Compound Name

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

IUPAC name

3-[2-(34-dimethoxyphenyl)ethyl]-1-(4-methoxyphenyl)thiourea

SMILES

COc(cc1)ccc1NC(NCCc(cc1)cc(OC)c1OC)=S

InChI

InChI=1S/C18H22N2O3S/c1-21-15-7-5-14(6-8-15)20-18(24)19-11-10-13-4-9-16(22-2)17(12-13)23-3/h4-9,12H,10-11H2,1-3H3,(H2,19,20,24)

InChI Key

DXUULMXZDAHASI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00124328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.768

Distribution Coefficient, logD

2.768

Water Solubility, LogSw

-3.35

Polar Surface Area

43.029

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4514-1905 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4514-1905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1905?
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What is the minimum amount of 4514-1905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1905
  • 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 4514-1905 available by request