F781-0059 Screening compound: 3-(2,4-difluorophenyl)-1-[2-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

F781-0059 Screening compound: 3-(2,4-difluorophenyl)-1-[2-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea
F781-0059 Screening compound: 3-(2,4-difluorophenyl)-1-[2-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F781-0059
3-(2,4-difluorophenyl)-1-[2-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

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

F781-0059

Molecular Formula

C19H14F2N6OS (C19 H14 F2 N6 OS)

Compound Name

3-(2,4-difluorophenyl)-1-[2-({5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

IUPAC name

3-(24-difluorophenyl)-1-[2-({5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]urea

SMILES

Cc1nc2ncnn2c(Sc(cccc2)c2NC(Nc(ccc(F)c2)c2F)=O)c1

InChI

InChI=1S/C19H14F2N6OS/c1-11-8-17(27-18(24-11)22-10-23-27)29-16-5-3-2-4-15(16)26-19(28)25-14-7-6-12(20)9-13(14)21/h2-10H,1H3,(H2,25,26,28)

InChI Key

ORQAWHKOTPYONC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27189724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.638

Water Solubility, LogSw

-3.90

Polar Surface Area

62.657

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

F781-0059 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F781-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F781-0059?
Check Price and Availability of F781-0059, 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 F781-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F781-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F781-0059
  • 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 F781-0059 available by request