4014-0820 Screening compound: 3-(2-fluorobenzoyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}thiourea

4014-0820 Screening compound: 3-(2-fluorobenzoyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}thiourea
4014-0820 Screening compound: 3-(2-fluorobenzoyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4014-0820
3-(2-fluorobenzoyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}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

4014-0820

Molecular Formula

C20H16FN3OS (C20 H16 FN3 OS)

Compound Name

3-(2-fluorobenzoyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}thiourea

IUPAC name

3-(2-fluorobenzoyl)-1-{4-[(pyridin-4-yl)methyl]phenyl}thiourea

SMILES

O=C(c(cccc1)c1F)NC(Nc1ccc(Cc2ccncc2)cc1)=S

InChI

InChI=1S/C20H16FN3OS/c21-18-4-2-1-3-17(18)19(25)24-20(26)23-16-7-5-14(6-8-16)13-15-9-11-22-12-10-15/h1-12H,13H2,(H2,23,24,25,26)

InChI Key

ZUGRSAHDXIMZBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03016113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-4.16

Polar Surface Area

42.396

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4014-0820 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4014-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4014-0820?
Check Price and Availability of 4014-0820, 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 4014-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4014-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4014-0820
  • 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 4014-0820 available by request