K786-5453 Screening compound: 3-(2-fluorophenyl)-1-(propan-2-yl)-1-[1-(pyridin-2-yl)ethyl]thiourea

K786-5453 Screening compound: 3-(2-fluorophenyl)-1-(propan-2-yl)-1-[1-(pyridin-2-yl)ethyl]thiourea
K786-5453 Screening compound: 3-(2-fluorophenyl)-1-(propan-2-yl)-1-[1-(pyridin-2-yl)ethyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-5453
3-(2-fluorophenyl)-1-(propan-2-yl)-1-[1-(pyridin-2-yl)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

K786-5453

Molecular Formula

C17H20FN3S (C17 H20 FN3 S)

Compound Name

3-(2-fluorophenyl)-1-(propan-2-yl)-1-[1-(pyridin-2-yl)ethyl]thiourea

IUPAC name

3-(2-fluorophenyl)-1-(propan-2-yl)-1-[1-(pyridin-2-yl)ethyl]thiourea

SMILES

CC(C)N(C(C)c1ncccc1)C(Nc(cccc1)c1F)=S

InChI

InChI=1S/C17H20FN3S/c1-12(2)21(13(3)15-9-6-7-11-19-15)17(22)20-16-10-5-4-8-14(16)18/h4-13H,1-3H3,(H,20,22)/t13-/m0/s1

InChI Key

BIVGNPSDBQKFDC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD03832432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-4.05

Polar Surface Area

18.265

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

K786-5453 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K786-5453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-5453?
Check Price and Availability of K786-5453, 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 K786-5453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-5453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-5453
  • 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 K786-5453 available by request