3254-1498 Screening compound: 4-[(1E)-1-[(2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]ethyl]phenyl acetate

3254-1498 Screening compound: 4-[(1E)-1-[(2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]ethyl]phenyl acetate
3254-1498 Screening compound: 4-[(1E)-1-[(2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]ethyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1498
4-[(1E)-1-[(2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]ethyl]phenyl 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

3254-1498

Molecular Formula

C27H24ClN5O3S (C27 H24 ClN5 O3 S)

Compound Name

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

IUPAC name

4-[(1E)-1-[(2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}acetamido)imino]ethyl]phenyl acetate

SMILES

C/C(/c(cc1)ccc1OC(C)=O)=N\NC(CSc1nnc(-c(cc2)ccc2Cl)n1-c1ccc(C)cc1)=O

InChI

InChI=1S/C27H24ClN5O3S/c1-17-4-12-23(13-5-17)33-26(21-6-10-22(28)11-7-21)31-32-27(33)37-16-25(35)30-29-18(2)20-8-14-24(15-9-20)36-19(3)34/h4-15H,16H2,1-3H3,(H,30,35)

InChI Key

DWMHZQWGAJWMFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.04

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.459

Distribution Coefficient, logD

5.459

Water Solubility, LogSw

-6.04

Polar Surface Area

80.125

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 3254-1498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1498?
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What is the minimum amount of 3254-1498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1498
  • 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 3254-1498 available by request