D419-0322 Screening compound: methyl 2-(2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate

D419-0322 Screening compound: methyl 2-(2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate
D419-0322 Screening compound: methyl 2-(2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0322
methyl 2-(2-{[5-(2-methylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate

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

D419-0322

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

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

IUPAC name

methyl 2-(2-{[5-(2-methylphenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamido)acetate

SMILES

Cc(cccc1)c1-c(n1-c2ccccc2)nnc1SCC(NCC(OC)=O)=O

InChI

InChI=1S/C20H20N4O3S/c1-14-8-6-7-11-16(14)19-22-23-20(24(19)15-9-4-3-5-10-15)28-13-17(25)21-12-18(26)27-2/h3-11H,12-13H2,1-2H3,(H,21,25)

InChI Key

JBMDGGXDGYWZAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.728

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-3.35

Polar Surface Area

70.034

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D419-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0322?
Check Price and Availability of D419-0322, 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 D419-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0322
  • 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 D419-0322 available by request