F518-0610 Screening compound: N-[2-({5-ethyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-4-fluorobenzamide

F518-0610 Screening compound: N-[2-({5-ethyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-4-fluorobenzamide
F518-0610 Screening compound: N-[2-({5-ethyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F518-0610
N-[2-({5-ethyl-2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-4-fluorobenzamide

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

F518-0610

Molecular Formula

C21H18FN5OS (C21 H18 FN5 OS)

Compound Name

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

IUPAC name

N-[2-({5-ethyl-2-methyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]-4-fluorobenzamide

SMILES

CCc1nc2nc(C)nn2c(Sc(cccc2)c2NC(c(cc2)ccc2F)=O)c1

InChI

InChI=1S/C21H18FN5OS/c1-3-16-12-19(27-21(24-16)23-13(2)26-27)29-18-7-5-4-6-17(18)25-20(28)14-8-10-15(22)11-9-14/h4-12H,3H2,1-2H3,(H,25,28)

InChI Key

XWVAPOHRYXPZJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

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

4.097

Distribution Coefficient, logD

4.097

Water Solubility, LogSw

-4.13

Polar Surface Area

53.503

Acid Dissociation Constant (pKa)

11.27

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with F518-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F518-0610?
Check Price and Availability of F518-0610, 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 F518-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F518-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F518-0610
  • 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 F518-0610 available by request