3254-2174 Screening compound: 4-[(E)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2,6-dimethoxyphenyl acetate

3254-2174 Screening compound: 4-[(E)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2,6-dimethoxyphenyl acetate
3254-2174 Screening compound: 4-[(E)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-2174
4-[(E)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2,6-dimethoxyphenyl 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

3254-2174

Molecular Formula

C27H24BrN5O5S (C27 H24 BrN5 O5 S)

Compound Name

4-[(E)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-2,6-dimethoxyphenyl acetate

IUPAC name

4-[(E)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamido)imino]methyl]-26-dimethoxyphenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=N/NC(CSc1nnc(-c(cc2)ccc2Br)n1-c1ccccc1)=O)c1)c1OC)=O

InChI

InChI=1S/C27H24BrN5O5S/c1-17(34)38-25-22(36-2)13-18(14-23(25)37-3)15-29-30-24(35)16-39-27-32-31-26(19-9-11-20(28)12-10-19)33(27)21-7-5-4-6-8-21/h4-15H,16H2,1-3H3,(H,30,35)

InChI Key

HCXRQEJQCLLAIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02074906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

610.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.905

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-4.69

Polar Surface Area

96.272

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with 3254-2174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2174?
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What is the minimum amount of 3254-2174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2174
  • 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 3254-2174 available by request