D419-0133 Screening compound: N-butyl-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

D419-0133 Screening compound: N-butyl-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
D419-0133 Screening compound: N-butyl-2-{[5-(4-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0133
N-butyl-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

D419-0133

Molecular Formula

C21H24N4OS (C21 H24 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCCCNC(CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1)=O

InChI

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

InChI Key

VGDWPWLXOYBHDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14321669

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

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.424

Distribution Coefficient, logD

4.424

Water Solubility, LogSw

-4.16

Polar Surface Area

49.297

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D419-0133 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D419-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0133?
Check Price and Availability of D419-0133, 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 D419-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0133
  • 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 D419-0133 available by request