3254-2119 Screening compound: 4-[(Z)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid

3254-2119 Screening compound: 4-[(Z)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid
3254-2119 Screening compound: 4-[(Z)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3254-2119
4-[(Z)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid

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

3254-2119

Molecular Formula

C24H18BrN5O3S (C24 H18 BrN5 O3 S)

Compound Name

4-[(Z)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid

IUPAC name

4-[(Z)-[(2-{[5-(4-bromophenyl)-4-phenyl-4H-124-triazol-3-yl]sulfanyl}acetamido)imino]methyl]benzoic acid

SMILES

OC(c1ccc(/C=N\NC(CSc2nnc(-c(cc3)ccc3Br)n2-c2ccccc2)=O)cc1)=O

InChI

InChI=1S/C24H18BrN5O3S/c25-19-12-10-17(11-13-19)22-28-29-24(30(22)20-4-2-1-3-5-20)34-15-21(31)27-26-14-16-6-8-18(9-7-16)23(32)33/h1-14H,15H2,(H,27,31)(H,32,33)

InChI Key

OZOXQHDONLETIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02074976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.172

Distribution Coefficient, logD

1.565

Water Solubility, LogSw

-5.18

Polar Surface Area

88.495

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.20

References: we are preparing a list of scientific research reports with 3254-2119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3254-2119?
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What is the minimum amount of 3254-2119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3254-2119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3254-2119
  • 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 3254-2119 available by request