4059-2235 Screening compound: 1-(5-bromopyridin-2-yl)-3-(3-methyl-1-benzofuran-2-carbonyl)thiourea

4059-2235 Screening compound: 1-(5-bromopyridin-2-yl)-3-(3-methyl-1-benzofuran-2-carbonyl)thiourea
4059-2235 Screening compound: 1-(5-bromopyridin-2-yl)-3-(3-methyl-1-benzofuran-2-carbonyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4059-2235
1-(5-bromopyridin-2-yl)-3-(3-methyl-1-benzofuran-2-carbonyl)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

4059-2235

Molecular Formula

C16H12BrN3O2S (C16 H12 BrN3 O2 S)

Compound Name

1-(5-bromopyridin-2-yl)-3-(3-methyl-1-benzofuran-2-carbonyl)thiourea

IUPAC name

1-(5-bromopyridin-2-yl)-3-(3-methyl-1-benzofuran-2-carbonyl)thiourea

SMILES

Cc1c(C(NC(Nc(cc2)ncc2Br)=S)=O)oc2c1cccc2

InChI

InChI=1S/C16H12BrN3O2S/c1-9-11-4-2-3-5-12(11)22-14(9)15(21)20-16(23)19-13-7-6-10(17)8-18-13/h2-8H,1H3,(H2,18,19,20,21,23)

InChI Key

DURHRTSNLKKZBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.090

Distribution Coefficient, logD

5.088

Water Solubility, LogSw

-4.91

Polar Surface Area

51.470

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4059-2235 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Covalent Inhibitors Library (7986 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4059-2235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-2235?
Check Price and Availability of 4059-2235, 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 4059-2235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-2235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-2235
  • 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 4059-2235 available by request