CM4297-3418 Screening compound: (4-{1-[2-chloro-5-(trifluoromethyl)benzyl]-3-azetanyl}-4H-1,2,4-triazol-3-yl)methyl methyl ether

CM4297-3418 Screening compound: (4-{1-[2-chloro-5-(trifluoromethyl)benzyl]-3-azetanyl}-4H-1,2,4-triazol-3-yl)methyl methyl ether
CM4297-3418 Screening compound: (4-{1-[2-chloro-5-(trifluoromethyl)benzyl]-3-azetanyl}-4H-1,2,4-triazol-3-yl)methyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4297-3418
(4-{1-[2-chloro-5-(trifluoromethyl)benzyl]-3-azetanyl}-4H-1,2,4-triazol-3-yl)methyl methyl ether

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

CM4297-3418

Molecular Formula

C15H16ClF3N4O (C15 H16 ClF3 N4 O)

Compound Name

(4-{1-[2-chloro-5-(trifluoromethyl)benzyl]-3-azetanyl}-4H-1,2,4-triazol-3-yl)methyl methyl ether

IUPAC name

n/a

SMILES

COCc1nncn1C1CN(Cc(cc(C(F)(F)F)cc2)c2Cl)C1

InChI

InChI=1S/C15H16ClF3N4O/c1-24-8-14-21-20-9-23(14)12-6-22(7-12)5-10-4-11(15(17,18)19)2-3-13(10)16/h2-4,9,12H,5-8H2,1H3

InChI Key

SSMXEMGHVCLXFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.137

Distribution Coefficient, logD

1.937

Water Solubility, LogSw

-3.06

Polar Surface Area

38.025

Acid Dissociation Constant (pKa)

17.89

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

References: we are preparing a list of scientific research reports with CM4297-3418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4297-3418?
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What is the minimum amount of CM4297-3418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4297-3418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4297-3418
  • 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 CM4297-3418 available by request