4896-3120 Screening compound: 2-[(E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-ethoxyphenol

4896-3120 Screening compound: 2-[(E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-ethoxyphenol
4896-3120 Screening compound: 2-[(E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4896-3120
2-[(E)-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl]imino}methyl]-6-ethoxyphenol

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

4896-3120

Molecular Formula

C17H20N6O2 (C17 H20 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cccc1/C=N/n2c(-n3nc(C)cc3C)nnc2C)c1O

InChI

InChI=1S/C17H20N6O2/c1-5-25-15-8-6-7-14(16(15)24)10-18-23-13(4)19-20-17(23)22-12(3)9-11(2)21-22/h6-10,24H,5H2,1-4H3

InChI Key

WCCPHRRPXXXUIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01919334

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.729

Distribution Coefficient, logD

1.654

Water Solubility, LogSw

-1.70

Polar Surface Area

72.173

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

4.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 4896-3120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4896-3120?
Check Price and Availability of 4896-3120, 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 4896-3120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4896-3120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4896-3120
  • 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 4896-3120 available by request