3254-1382 Screening compound: 4-[(E)-[(2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2-methoxyphenyl acetate

3254-1382 Screening compound: 4-[(E)-[(2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2-methoxyphenyl acetate
3254-1382 Screening compound: 4-[(E)-[(2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2-methoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-1382
4-[(E)-[(2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-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

3254-1382

Molecular Formula

C27H24ClN5O4S (C27 H24 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc(ccc(/C=N/NC(CSc1nnc(-c(cc2)ccc2Cl)n1-c1ccc(C)cc1)=O)c1)c1OC)=O

InChI

InChI=1S/C27H24ClN5O4S/c1-17-4-11-22(12-5-17)33-26(20-7-9-21(28)10-8-20)31-32-27(33)38-16-25(35)30-29-15-19-6-13-23(37-18(2)34)24(14-19)36-3/h4-15H,16H2,1-3H3,(H,30,35)

InChI Key

RGZBOLHPWRTSOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02077511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

550.04

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

5.309

Distribution Coefficient, logD

5.309

Water Solubility, LogSw

-6.13

Polar Surface Area

88.555

Acid Dissociation Constant (pKa)

11.09

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 3254-1382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-1382?
Check Price and Availability of 3254-1382, 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 3254-1382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-1382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-1382
  • 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 3254-1382 available by request