4896-2725 Screening compound: 2-bromo-4-[(E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-methoxyphenol

4896-2725 Screening compound: 2-bromo-4-[(E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-methoxyphenol
4896-2725 Screening compound: 2-bromo-4-[(E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-2725
2-bromo-4-[(E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-methoxyphenol

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

4896-2725

Molecular Formula

C16H17BrN6O2 (C16 H17 BrN6 O2)

Compound Name

2-bromo-4-[(E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-methoxyphenol

IUPAC name

2-bromo-4-[(E)-{[3-(35-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-124-triazol-4-yl]imino}methyl]-6-methoxyphenol

SMILES

Cc1cc(C)nn1-c1nnc(C)n1/N=C/c(cc1OC)cc(Br)c1O

InChI

InChI=1S/C16H17BrN6O2/c1-9-5-10(2)22(21-9)16-20-19-11(3)23(16)18-8-12-6-13(17)15(24)14(7-12)25-4/h5-8,24H,1-4H3

InChI Key

VQQISTCWQDWHDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02053601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.370

Distribution Coefficient, logD

1.321

Water Solubility, LogSw

-1.25

Polar Surface Area

72.594

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4896-2725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-2725?
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What is the minimum amount of 4896-2725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-2725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-2725
  • 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 4896-2725 available by request