3254-1856 Screening compound: 4-[(E)-({2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}imino)methyl]-2-methoxyphenyl acetate

3254-1856 Screening compound: 4-[(E)-({2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}imino)methyl]-2-methoxyphenyl acetate
3254-1856 Screening compound: 4-[(E)-({2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}imino)methyl]-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1856
4-[(E)-({2-[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}imino)methyl]-2-methoxyphenyl 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

3254-1856

Molecular Formula

C22H23N5O4S (C22 H23 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(SCC(N/N=C/c(cc2)cc(OC)c2OC(C)=O)=O)nnc1-c1ccccc1

InChI

InChI=1S/C22H23N5O4S/c1-4-27-21(17-8-6-5-7-9-17)25-26-22(27)32-14-20(29)24-23-13-16-10-11-18(31-15(2)28)19(12-16)30-3/h5-13H,4,14H2,1-3H3,(H,24,29)

InChI Key

RTPBCHOBSMNTGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02224510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

3.227

Water Solubility, LogSw

-3.55

Polar Surface Area

87.808

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 3254-1856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1856?
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What is the minimum amount of 3254-1856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1856
  • 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 3254-1856 available by request