F518-0534 Screening compound: 3-chloro-N-[2-({5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide

F518-0534 Screening compound: 3-chloro-N-[2-({5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide
F518-0534 Screening compound: 3-chloro-N-[2-({5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F518-0534
3-chloro-N-[2-({5-ethyl-[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

F518-0534

Molecular Formula

C20H16ClN5OS (C20 H16 ClN5 OS)

Compound Name

3-chloro-N-[2-({5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide

IUPAC name

3-chloro-N-[2-({5-ethyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]benzamide

SMILES

CCc1nc2ncnn2c(Sc(cccc2)c2NC(c2cccc(Cl)c2)=O)c1

InChI

InChI=1S/C20H16ClN5OS/c1-2-15-11-18(26-20(24-15)22-12-23-26)28-17-9-4-3-8-16(17)25-19(27)13-6-5-7-14(21)10-13/h3-12H,2H2,1H3,(H,25,27)

InChI Key

JOVXJMNVPJXRKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.599

Distribution Coefficient, logD

4.599

Water Solubility, LogSw

-4.59

Polar Surface Area

54.831

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

F518-0534 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F518-0534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F518-0534?
Check Price and Availability of F518-0534, 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 F518-0534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F518-0534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F518-0534
  • 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 F518-0534 available by request