F781-0409 Screening compound: 3-[2-({5,6-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-fluorophenyl)urea

F781-0409 Screening compound: 3-[2-({5,6-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-fluorophenyl)urea
F781-0409 Screening compound: 3-[2-({5,6-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound F781-0409
3-[2-({5,6-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-fluorophenyl)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

F781-0409

Molecular Formula

C26H21FN6OS (C26 H21 FN6 OS)

Compound Name

3-[2-({5,6-dimethyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-fluorophenyl)urea

IUPAC name

3-[2-({56-dimethyl-2-phenyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-fluorophenyl)urea

SMILES

Cc(c(C)nc1nc(-c2ccccc2)nn11)c1Sc(cccc1)c1NC(Nc(cc1)ccc1F)=O

InChI

InChI=1S/C26H21FN6OS/c1-16-17(2)28-25-31-23(18-8-4-3-5-9-18)32-33(25)24(16)35-22-11-7-6-10-21(22)30-26(34)29-20-14-12-19(27)13-15-20/h3-15H,1-2H3,(H2,29,30,34)

InChI Key

BPDLWGKKPJAOJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27189727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.136

Distribution Coefficient, logD

6.136

Water Solubility, LogSw

-5.67

Polar Surface Area

62.688

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

F781-0409 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F781-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F781-0409?
Check Price and Availability of F781-0409, 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 F781-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F781-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F781-0409
  • 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 F781-0409 available by request