5743-0400 Screening compound: 3-(4-chloro-2,5-dimethoxyphenyl)-1-{2-[(4-methylphenyl)sulfanyl]ethyl}thiourea

5743-0400 Screening compound: 3-(4-chloro-2,5-dimethoxyphenyl)-1-{2-[(4-methylphenyl)sulfanyl]ethyl}thiourea
5743-0400 Screening compound: 3-(4-chloro-2,5-dimethoxyphenyl)-1-{2-[(4-methylphenyl)sulfanyl]ethyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5743-0400
3-(4-chloro-2,5-dimethoxyphenyl)-1-{2-[(4-methylphenyl)sulfanyl]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

5743-0400

Molecular Formula

C18H21ClN2O2S2 (C18 H21 ClN2 O2 S2)

Compound Name

3-(4-chloro-2,5-dimethoxyphenyl)-1-{2-[(4-methylphenyl)sulfanyl]ethyl}thiourea

IUPAC name

3-(4-chloro-25-dimethoxyphenyl)-1-{2-[(4-methylphenyl)sulfanyl]ethyl}thiourea

SMILES

Cc(cc1)ccc1SCCNC(Nc(c(OC)c1)cc(OC)c1Cl)=S

InChI

InChI=1S/C18H21ClN2O2S2/c1-12-4-6-13(7-5-12)25-9-8-20-18(24)21-15-11-16(22-2)14(19)10-17(15)23-3/h4-7,10-11H,8-9H2,1-3H3,(H2,20,21,24)

InChI Key

BSWXCHVDHQCBOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03584571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.783

Distribution Coefficient, logD

4.783

Water Solubility, LogSw

-4.95

Polar Surface Area

34.788

Acid Dissociation Constant (pKa)

10.64

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

5743-0400 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5743-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5743-0400?
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What is the minimum amount of 5743-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5743-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5743-0400
  • 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 5743-0400 available by request