8003-8045 Screening compound: (E)-N-[3-(3,5-diphenyl-1H-pyrazol-1-yl)-5-ethyl-4H-1,2,4-triazol-4-yl]-1-phenylmethanimine

8003-8045 Screening compound: (E)-N-[3-(3,5-diphenyl-1H-pyrazol-1-yl)-5-ethyl-4H-1,2,4-triazol-4-yl]-1-phenylmethanimine
8003-8045 Screening compound: (E)-N-[3-(3,5-diphenyl-1H-pyrazol-1-yl)-5-ethyl-4H-1,2,4-triazol-4-yl]-1-phenylmethanimine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8045
(E)-N-[3-(3,5-diphenyl-1H-pyrazol-1-yl)-5-ethyl-4H-1,2,4-triazol-4-yl]-1-phenylmethanimine

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

8003-8045

Molecular Formula

C26H22N6 (C26 H22 N6)

Compound Name

(E)-N-[3-(3,5-diphenyl-1H-pyrazol-1-yl)-5-ethyl-4H-1,2,4-triazol-4-yl]-1-phenylmethanimine

IUPAC name

(E)-N-[3-(35-diphenyl-1H-pyrazol-1-yl)-5-ethyl-4H-124-triazol-4-yl]-1-phenylmethanimine

SMILES

CCc(n1/N=C/c2ccccc2)nnc1-n(c(-c1ccccc1)c1)nc1-c1ccccc1

InChI

InChI=1S/C26H22N6/c1-2-25-28-29-26(32(25)27-19-20-12-6-3-7-13-20)31-24(22-16-10-5-11-17-22)18-23(30-31)21-14-8-4-9-15-21/h3-19H,2H2,1H3

InChI Key

PFFVHXVHHPUNSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00329989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.579

Distribution Coefficient, logD

5.579

Water Solubility, LogSw

-5.66

Polar Surface Area

48.363

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

8003-8045 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-8045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8045?
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What is the minimum amount of 8003-8045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8045
  • 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 8003-8045 available by request