CM4297-0928 Screening compound: 1-[3-(3-CYCLOPROPYL-4H-1,2,4-TRIAZOL-4-YL)-1-AZETANYL]-2-(3-FLUOROPHENYL)-1-ETHANONE

CM4297-0928 Screening compound: 1-[3-(3-CYCLOPROPYL-4H-1,2,4-TRIAZOL-4-YL)-1-AZETANYL]-2-(3-FLUOROPHENYL)-1-ETHANONE
CM4297-0928 Screening compound: 1-[3-(3-CYCLOPROPYL-4H-1,2,4-TRIAZOL-4-YL)-1-AZETANYL]-2-(3-FLUOROPHENYL)-1-ETHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4297-0928
1-[3-(3-CYCLOPROPYL-4H-1,2,4-TRIAZOL-4-YL)-1-AZETANYL]-2-(3-FLUOROPHENYL)-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

CM4297-0928

Molecular Formula

C16H17FN4O (C16 H17 FN4 O)

Compound Name

1-[3-(3-CYCLOPROPYL-4H-1,2,4-TRIAZOL-4-YL)-1-AZETANYL]-2-(3-FLUOROPHENYL)-1-ETHANONE

IUPAC name

n/a

SMILES

O=C(Cc1cccc(F)c1)N(C1)CC1n1c(C2CC2)nnc1

InChI

InChI=1S/C16H17FN4O/c17-13-3-1-2-11(6-13)7-15(22)20-8-14(9-20)21-10-18-19-16(21)12-4-5-12/h1-3,6,10,12,14H,4-5,7-9H2

InChI Key

RSZOFEJZSZCLAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30458399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.622

Distribution Coefficient, logD

1.602

Water Solubility, LogSw

-1.60

Polar Surface Area

41.265

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

CM4297-0928 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM4297-0928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4297-0928?
Check Price and Availability of CM4297-0928, 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 CM4297-0928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4297-0928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4297-0928
  • 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 CM4297-0928 available by request