D419-0256 Screening compound: methyl 2-(2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate

D419-0256 Screening compound: methyl 2-(2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate
D419-0256 Screening compound: methyl 2-(2-{[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D419-0256
methyl 2-(2-{[5-(4-chlorophenyl)-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

D419-0256

Molecular Formula

C19H17ClN4O3S (C19 H17 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(CNC(CSc1nnc(-c(cc2)ccc2Cl)n1-c1ccccc1)=O)=O

InChI

InChI=1S/C19H17ClN4O3S/c1-27-17(26)11-21-16(25)12-28-19-23-22-18(13-7-9-14(20)10-8-13)24(19)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,21,25)

InChI Key

ZQKJMBWQAFPKDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.89

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

3.239

Distribution Coefficient, logD

3.239

Water Solubility, LogSw

-3.81

Polar Surface Area

70.034

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

References: we are preparing a list of scientific research reports with D419-0256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D419-0256?
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What is the minimum amount of D419-0256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D419-0256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D419-0256
  • 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 D419-0256 available by request