8601-0163 Screening compound: 5-[(2-methoxyphenoxy)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazole

8601-0163 Screening compound: 5-[(2-methoxyphenoxy)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazole
8601-0163 Screening compound: 5-[(2-methoxyphenoxy)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8601-0163
5-[(2-methoxyphenoxy)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-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

8601-0163

Molecular Formula

C16H13F3N4O2 (C16 H13 F3 N4 O2)

Compound Name

5-[(2-methoxyphenoxy)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazole

IUPAC name

5-[(2-methoxyphenoxy)methyl]-1-[3-(trifluoromethyl)phenyl]-1H-1234-tetrazole

SMILES

COc(cccc1)c1OCc1nnnn1-c1cccc(C(F)(F)F)c1

InChI

InChI=1S/C16H13F3N4O2/c1-24-13-7-2-3-8-14(13)25-10-15-20-21-22-23(15)12-6-4-5-11(9-12)16(17,18)19/h2-9H,10H2,1H3

InChI Key

YTXORDUUPZDCQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08292107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.190

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-3.34

Polar Surface Area

55.499

Acid Dissociation Constant (pKa)

25.65

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8601-0163 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8601-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8601-0163?
Check Price and Availability of 8601-0163, 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 8601-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8601-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8601-0163
  • 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 8601-0163 available by request