5743-0402 Screening compound: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(furan-2-yl)methyl]thiourea

5743-0402 Screening compound: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(furan-2-yl)methyl]thiourea
5743-0402 Screening compound: 1-(4-chloro-2,5-dimethoxyphenyl)-3-[(furan-2-yl)methyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5743-0402
1-(4-chloro-2,5-dimethoxyphenyl)-3-[(furan-2-yl)methyl]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

5743-0402

Molecular Formula

C14H15ClN2O3S (C14 H15 ClN2 O3 S)

Compound Name

1-(4-chloro-2,5-dimethoxyphenyl)-3-[(furan-2-yl)methyl]thiourea

IUPAC name

1-(4-chloro-25-dimethoxyphenyl)-3-[(furan-2-yl)methyl]thiourea

SMILES

COc(c(NC(NCc1ccco1)=S)c1)cc(Cl)c1OC

InChI

InChI=1S/C14H15ClN2O3S/c1-18-12-7-11(13(19-2)6-10(12)15)17-14(21)16-8-9-4-3-5-20-9/h3-7H,8H2,1-2H3,(H2,16,17,21)

InChI Key

IKMJGIREOHIIBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03584573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

3.436

Water Solubility, LogSw

-3.52

Polar Surface Area

42.695

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

5743-0402 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5743-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5743-0402?
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What is the minimum amount of 5743-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5743-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5743-0402
  • 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 5743-0402 available by request