5743-0397 Screening compound: 3-(4-chloro-2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]thiourea

5743-0397 Screening compound: 3-(4-chloro-2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]thiourea
5743-0397 Screening compound: 3-(4-chloro-2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5743-0397
3-(4-chloro-2,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]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

5743-0397

Molecular Formula

C18H21ClN2O3S (C18 H21 ClN2 O3 S)

Compound Name

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

IUPAC name

3-(4-chloro-25-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]thiourea

SMILES

COc1ccc(CCNC(Nc(c(OC)c2)cc(OC)c2Cl)=S)cc1

InChI

InChI=1S/C18H21ClN2O3S/c1-22-13-6-4-12(5-7-13)8-9-20-18(25)21-15-11-16(23-2)14(19)10-17(15)24-3/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,25)

InChI Key

AYWPOCZOMGEHOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03584568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.9

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

3.781

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-4.06

Polar Surface Area

42.331

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

5743-0397 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 5743-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5743-0397?
Check Price and Availability of 5743-0397, 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 5743-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5743-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5743-0397
  • 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 5743-0397 available by request