D489-0565 Screening compound: 2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide

D489-0565 Screening compound: 2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide
D489-0565 Screening compound: 2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D489-0565
2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide

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

D489-0565

Molecular Formula

C21H24N4OS (C21 H24 N4 OS)

Compound Name

2-{[5-(3,4-dimethylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-propylacetamide

IUPAC name

2-{[5-(34-dimethylphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}-N-propylacetamide

SMILES

CCCNC(CSc1nnc(-c2cc(C)c(C)cc2)n1-c1ccccc1)=O

InChI

InChI=1S/C21H24N4OS/c1-4-12-22-19(26)14-27-21-24-23-20(17-11-10-15(2)16(3)13-17)25(21)18-8-6-5-7-9-18/h5-11,13H,4,12,14H2,1-3H3,(H,22,26)

InChI Key

FIBIKFZALPPEGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.51

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

4.398

Distribution Coefficient, logD

4.398

Water Solubility, LogSw

-4.14

Polar Surface Area

49.297

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D489-0565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D489-0565?
Check Price and Availability of D489-0565, 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 D489-0565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D489-0565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D489-0565
  • 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 D489-0565 available by request