F518-0139 Screening compound: N-[2-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-3,4-dimethoxybenzamide

F518-0139 Screening compound: N-[2-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-3,4-dimethoxybenzamide
F518-0139 Screening compound: N-[2-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-3,4-dimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F518-0139
N-[2-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-3,4-dimethoxybenzamide

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

F518-0139

Molecular Formula

C23H23N5O3S (C23 H23 N5 O3 S)

Compound Name

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

IUPAC name

N-[2-({6-ethyl-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]-34-dimethoxybenzamide

SMILES

CCc(c(C)nc1ncnn11)c1Sc(cccc1)c1NC(c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C23H23N5O3S/c1-5-16-14(2)26-23-24-13-25-28(23)22(16)32-20-9-7-6-8-17(20)27-21(29)15-10-11-18(30-3)19(12-15)31-4/h6-13H,5H2,1-4H3,(H,27,29)

InChI Key

FBMACPPMIPEIDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14957768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-4.14

Polar Surface Area

69.950

Acid Dissociation Constant (pKa)

13.84

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F518-0139 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 F518-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F518-0139?
Check Price and Availability of F518-0139, 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 F518-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F518-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F518-0139
  • 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 F518-0139 available by request