4059-1982 Screening compound: 3-(1-BENZOFURAN-2-CARBONYL)-1-(3-METHYLPYRIDIN-2-YL)THIOUREA

4059-1982 Screening compound: 3-(1-BENZOFURAN-2-CARBONYL)-1-(3-METHYLPYRIDIN-2-YL)THIOUREA
4059-1982 Screening compound: 3-(1-BENZOFURAN-2-CARBONYL)-1-(3-METHYLPYRIDIN-2-YL)THIOUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound 4059-1982
3-(1-BENZOFURAN-2-CARBONYL)-1-(3-METHYLPYRIDIN-2-YL)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

4059-1982

Molecular Formula

C16H13N3O2S (C16 H13 N3 O2 S)

Compound Name

3-(1-BENZOFURAN-2-CARBONYL)-1-(3-METHYLPYRIDIN-2-YL)THIOUREA

IUPAC name

n/a

SMILES

Cc1cccnc1NC(NC(c1cc(cccc2)c2o1)=O)=S

InChI

InChI=1S/C16H13N3O2S/c1-10-5-4-8-17-14(10)18-16(22)19-15(20)13-9-11-6-2-3-7-12(11)21-13/h2-9H,1H3,(H2,17,18,19,20,22)

InChI Key

ZNJFWHWCOAIFBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02631722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

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

4.067

Distribution Coefficient, logD

4.057

Water Solubility, LogSw

-3.91

Polar Surface Area

51.220

Acid Dissociation Constant (pKa)

9.71

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

4059-1982 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4059-1982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4059-1982?
Check Price and Availability of 4059-1982, 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 4059-1982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4059-1982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4059-1982
  • 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 4059-1982 available by request