3616-0266 Screening compound: 3-(4-CHLOROBENZOYL)-1-(PYRIDIN-3-YL)THIOUREA

3616-0266 Screening compound: 3-(4-CHLOROBENZOYL)-1-(PYRIDIN-3-YL)THIOUREA
3616-0266 Screening compound: 3-(4-CHLOROBENZOYL)-1-(PYRIDIN-3-YL)THIOUREA alternative view

Chemical Structure Depiction of ChemDiv screening compound 3616-0266
3-(4-CHLOROBENZOYL)-1-(PYRIDIN-3-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

3616-0266

Molecular Formula

C13H10ClN3OS (C13 H10 ClN3 OS)

Compound Name

3-(4-CHLOROBENZOYL)-1-(PYRIDIN-3-YL)THIOUREA

IUPAC name

n/a

SMILES

O=C(c(cc1)ccc1Cl)NC(Nc1cnccc1)=S

InChI

InChI=1S/C13H10ClN3OS/c14-10-5-3-9(4-6-10)12(18)17-13(19)16-11-2-1-7-15-8-11/h1-8H,(H2,16,17,18,19)

InChI Key

GWJBAIRTMPYGQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.921

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.73

Polar Surface Area

42.758

Acid Dissociation Constant (pKa)

8.89

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3616-0266 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3616-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3616-0266?
Check Price and Availability of 3616-0266, 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 3616-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3616-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3616-0266
  • 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 3616-0266 available by request