D048-0217 Screening compound: (E)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine

D048-0217 Screening compound: (E)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
D048-0217 Screening compound: (E)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0217
(E)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine

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

D048-0217

Molecular Formula

C14H14N6 (C14 H14 N6)

Compound Name

(E)-1-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine

IUPAC name

(E)-1-(35-dimethyl-1-phenyl-1H-pyrazol-4-yl)-N-(4H-124-triazol-4-yl)methanimine

SMILES

Cc1c(/C=N/n2cnnc2)c(C)nn1-c1ccccc1

InChI

InChI=1S/C14H14N6/c1-11-14(8-17-19-9-15-16-10-19)12(2)20(18-11)13-6-4-3-5-7-13/h3-10H,1-2H3

InChI Key

GUZSFGMVGUAUJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01913296

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.060

Distribution Coefficient, logD

1.053

Water Solubility, LogSw

-0.95

Polar Surface Area

48.624

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D048-0217 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D048-0217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0217?
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What is the minimum amount of D048-0217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0217
  • 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 D048-0217 available by request