8014-9804 Screening compound: 2-[(2-methylphenyl)methyl]-5-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2H-1,2,3,4-tetrazole

8014-9804 Screening compound: 2-[(2-methylphenyl)methyl]-5-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2H-1,2,3,4-tetrazole
8014-9804 Screening compound: 2-[(2-methylphenyl)methyl]-5-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9804
2-[(2-methylphenyl)methyl]-5-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2H-1,2,3,4-tetrazole

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

8014-9804

Molecular Formula

C23H19F3N4O (C23 H19 F3 N4 O)

Compound Name

2-[(2-methylphenyl)methyl]-5-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2H-1,2,3,4-tetrazole

IUPAC name

2-[(2-methylphenyl)methyl]-5-(4-{[3-(trifluoromethyl)phenyl]methoxy}phenyl)-2H-1234-tetrazole

SMILES

Cc1c(Cn2nnc(-c(cc3)ccc3OCc3cccc(C(F)(F)F)c3)n2)cccc1

InChI

InChI=1S/C23H19F3N4O/c1-16-5-2-3-7-19(16)14-30-28-22(27-29-30)18-9-11-21(12-10-18)31-15-17-6-4-8-20(13-17)23(24,25)26/h2-13H,14-15H2,1H3

InChI Key

AVWZSRAIAFOSJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.189

Distribution Coefficient, logD

6.189

Water Solubility, LogSw

-5.89

Polar Surface Area

45.569

Acid Dissociation Constant (pKa)

26.99

Base Dissociation Constant (pKb)

-3.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8014-9804 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-9804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9804?
Check Price and Availability of 8014-9804, 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 8014-9804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9804
  • 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 8014-9804 available by request