8525-0706 Screening compound: 6-(4-fluorophenyl)-2-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

8525-0706 Screening compound: 6-(4-fluorophenyl)-2-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
8525-0706 Screening compound: 6-(4-fluorophenyl)-2-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8525-0706
6-(4-fluorophenyl)-2-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

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

8525-0706

Molecular Formula

C16H10F4N4O (C16 H10 F4 N4 O)

Compound Name

6-(4-fluorophenyl)-2-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

6-(4-fluorophenyl)-2-(trifluoromethyl)-5H6H7H8H-[124]triazolo[32-b]quinazolin-8-one

SMILES

O=C(C1)c2cn3nc(C(F)(F)F)nc3nc2CC1c(cc1)ccc1F

InChI

InChI=1S/C16H10F4N4O/c17-10-3-1-8(2-4-10)9-5-12-11(13(25)6-9)7-24-15(21-12)22-14(23-24)16(18,19)20/h1-4,7,9H,5-6H2/t9-/m0/s1

InChI Key

SQLNXUCDPMSYLX-VIFPVBQESA-N

MDL Number (MFCD)

MFCD07640116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.812

Distribution Coefficient, logD

2.812

Water Solubility, LogSw

-3.07

Polar Surface Area

47.670

Acid Dissociation Constant (pKa)

18.43

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

8525-0706 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8525-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8525-0706?
Check Price and Availability of 8525-0706, 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 8525-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8525-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8525-0706
  • 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 8525-0706 available by request