8014-4082 Screening compound: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1H-imidazole

8014-4082 Screening compound: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1H-imidazole
8014-4082 Screening compound: 1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-4082
1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1H-imidazole

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

8014-4082

Molecular Formula

C13H7F3N6 (C13 H7 F3 N6)

Compound Name

1-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]-1H-imidazole

IUPAC name

1-[3-(trifluoromethyl)-[124]triazolo[34-a]phthalazin-6-yl]-1H-imidazole

SMILES

FC(c1nnc(c2c3cccc2)n1nc3-n1cncc1)(F)F

InChI

InChI=1S/C13H7F3N6/c14-13(15,16)12-19-18-10-8-3-1-2-4-9(8)11(20-22(10)12)21-6-5-17-7-21/h1-7H

InChI Key

FUUCPEGTNDDZTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03854886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.793

Distribution Coefficient, logD

1.793

Water Solubility, LogSw

-1.70

Polar Surface Area

45.602

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.69

8014-4082 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-4082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-4082?
Check Price and Availability of 8014-4082, 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 8014-4082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-4082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-4082
  • 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 8014-4082 available by request