6969-0498 Screening compound: 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

6969-0498 Screening compound: 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol
6969-0498 Screening compound: 1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6969-0498
1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

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

6969-0498

Molecular Formula

C25H18F3N5O (C25 H18 F3 N5 O)

Compound Name

1-(5,6-diphenyl-1,2,4-triazin-3-yl)-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol

IUPAC name

1-(56-diphenyl-124-triazin-3-yl)-3-phenyl-5-(trifluoromethyl)-45-dihydro-1H-pyrazol-5-ol

SMILES

OC(C1)(C(F)(F)F)N(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)N=C1c1ccccc1

InChI

InChI=1S/C25H18F3N5O/c26-25(27,28)24(34)16-20(17-10-4-1-5-11-17)32-33(24)23-29-21(18-12-6-2-7-13-18)22(30-31-23)19-14-8-3-9-15-19/h1-15,34H,16H2/t24-/m0/s1

InChI Key

GYNZBPACBOGRGI-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01466208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.934

Distribution Coefficient, logD

4.934

Water Solubility, LogSw

-4.77

Polar Surface Area

61.945

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

6969-0498 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6969-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6969-0498?
Check Price and Availability of 6969-0498, 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 6969-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6969-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6969-0498
  • 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 6969-0498 available by request