D489-0990 Screening compound: N-[(2-fluorophenyl)methyl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

D489-0990 Screening compound: N-[(2-fluorophenyl)methyl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
D489-0990 Screening compound: N-[(2-fluorophenyl)methyl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D489-0990
N-[(2-fluorophenyl)methyl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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

D489-0990

Molecular Formula

C24H21FN4OS (C24 H21 FN4 OS)

Compound Name

N-[(2-fluorophenyl)methyl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

IUPAC name

N-[(2-fluorophenyl)methyl]-2-{[5-(4-methylphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamide

SMILES

Cc(cc1)ccc1-c(n1-c2ccccc2)nnc1SCC(NCc(cccc1)c1F)=O

InChI

InChI=1S/C24H21FN4OS/c1-17-11-13-18(14-12-17)23-27-28-24(29(23)20-8-3-2-4-9-20)31-16-22(30)26-15-19-7-5-6-10-21(19)25/h2-14H,15-16H2,1H3,(H,26,30)

InChI Key

PLNWAKLMYZDPNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.145

Distribution Coefficient, logD

5.145

Water Solubility, LogSw

-5.01

Polar Surface Area

49.184

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with D489-0990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D489-0990?
Check Price and Availability of D489-0990, 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 D489-0990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D489-0990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D489-0990
  • 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 D489-0990 available by request