CM4298-1039 Screening compound: 1-[3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanyl]-2-[4-(trifluoromethoxy)phenyl]-1-ethanone

CM4298-1039 Screening compound: 1-[3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanyl]-2-[4-(trifluoromethoxy)phenyl]-1-ethanone
CM4298-1039 Screening compound: 1-[3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanyl]-2-[4-(trifluoromethoxy)phenyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4298-1039
1-[3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanyl]-2-[4-(trifluoromethoxy)phenyl]-1-ethanone

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

CM4298-1039

Molecular Formula

C18H21F3N4O2 (C18 H21 F3 N4 O2)

Compound Name

1-[3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanyl]-2-[4-(trifluoromethoxy)phenyl]-1-ethanone

IUPAC name

n/a

SMILES

CC(C)c1nn(C)c(C(C2)CN2C(Cc(cc2)ccc2OC(F)(F)F)=O)n1

InChI

InChI=1S/C18H21F3N4O2/c1-11(2)16-22-17(24(3)23-16)13-9-25(10-13)15(26)8-12-4-6-14(7-5-12)27-18(19,20)21/h4-7,11,13H,8-10H2,1-3H3

InChI Key

UCHYZCPZGAWHMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.462

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-3.61

Polar Surface Area

46.566

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with CM4298-1039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4298-1039?
Check Price and Availability of CM4298-1039, 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 CM4298-1039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4298-1039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4298-1039
  • 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 CM4298-1039 available by request