L281-0439 Screening compound: 3-fluoro-N-[4-({5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide

L281-0439 Screening compound: 3-fluoro-N-[4-({5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide
L281-0439 Screening compound: 3-fluoro-N-[4-({5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L281-0439
3-fluoro-N-[4-({5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide

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

L281-0439

Molecular Formula

C22H20FN5OS (C22 H20 FN5 OS)

Compound Name

3-fluoro-N-[4-({5-methyl-6-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide

IUPAC name

3-fluoro-N-[4-({5-methyl-6-propyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide

SMILES

CCCc(c(C)nc1ncnn11)c1Sc(cc1)ccc1NC(c1cc(F)ccc1)=O

InChI

InChI=1S/C22H20FN5OS/c1-3-5-19-14(2)26-22-24-13-25-28(22)21(19)30-18-10-8-17(9-11-18)27-20(29)15-6-4-7-16(23)12-15/h4,6-13H,3,5H2,1-2H3,(H,27,29)

InChI Key

DTSHJYZEQPTOHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15122610

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.050

Distribution Coefficient, logD

5.049

Water Solubility, LogSw

-4.74

Polar Surface Area

55.387

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L281-0439 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 L281-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L281-0439?
Check Price and Availability of L281-0439, 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 L281-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L281-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L281-0439
  • 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 L281-0439 available by request