CM4297-4229 Screening compound: 2-(4-{1-[2-chloro-5-(trifluoromethyl)benzyl]-3-azetanyl}-4H-1,2,4-triazol-3-yl)ethyl methyl ether

CM4297-4229 Screening compound: 2-(4-{1-[2-chloro-5-(trifluoromethyl)benzyl]-3-azetanyl}-4H-1,2,4-triazol-3-yl)ethyl methyl ether
CM4297-4229 Screening compound: 2-(4-{1-[2-chloro-5-(trifluoromethyl)benzyl]-3-azetanyl}-4H-1,2,4-triazol-3-yl)ethyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4297-4229
2-(4-{1-[2-chloro-5-(trifluoromethyl)benzyl]-3-azetanyl}-4H-1,2,4-triazol-3-yl)ethyl 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

CM4297-4229

Molecular Formula

C16H18ClF3N4O (C16 H18 ClF3 N4 O)

Compound Name

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

IUPAC name

4-(1-{[2-chloro-5-(trifluoromethyl)phenyl]methyl}azetidin-3-yl)-3-(2-methoxyethyl)-4H-124-triazole

SMILES

COCCc1nncn1C1CN(Cc(cc(C(F)(F)F)cc2)c2Cl)C1

InChI

InChI=1S/C16H18ClF3N4O/c1-25-5-4-15-22-21-10-24(15)13-8-23(9-13)7-11-6-12(16(18,19)20)2-3-14(11)17/h2-3,6,10,13H,4-5,7-9H2,1H3

InChI Key

GNZPLQOEXJUYEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.79

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

2.379

Distribution Coefficient, logD

2.145

Water Solubility, LogSw

-3.26

Polar Surface Area

37.944

Acid Dissociation Constant (pKa)

18.47

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

CM4297-4229 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with CM4297-4229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4297-4229?
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What is the minimum amount of CM4297-4229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4297-4229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4297-4229
  • 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 CM4297-4229 available by request