CM4298-1518 Screening compound: N-(3-chloro-4-fluorophenyl)-3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanecarboxamide

CM4298-1518 Screening compound: N-(3-chloro-4-fluorophenyl)-3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanecarboxamide
CM4298-1518 Screening compound: N-(3-chloro-4-fluorophenyl)-3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4298-1518
N-(3-chloro-4-fluorophenyl)-3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanecarboxamide

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

CM4298-1518

Molecular Formula

C16H19ClFN5O (C16 H19 ClFN5 O)

Compound Name

N-(3-chloro-4-fluorophenyl)-3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanecarboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-3-[1-methyl-3-(propan-2-yl)-1H-124-triazol-5-yl]azetidine-1-carboxamide

SMILES

CC(C)c1nn(C)c(C(C2)CN2C(Nc(cc2)cc(Cl)c2F)=O)n1

InChI

InChI=1S/C16H19ClFN5O/c1-9(2)14-20-15(22(3)21-14)10-7-23(8-10)16(24)19-11-4-5-13(18)12(17)6-11/h4-6,9-10H,7-8H2,1-3H3,(H,19,24)

InChI Key

MVOGOKSKWIAWQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30459983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

3.078

Water Solubility, LogSw

-3.52

Polar Surface Area

49.978

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

CM4298-1518 in Drug Discovery

Included in Screening Libraries

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 CM4298-1518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4298-1518?
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What is the minimum amount of CM4298-1518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4298-1518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4298-1518
  • 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 CM4298-1518 available by request