CM4298-1339 Screening compound: N-(4-fluorophenyl)-3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanecarboxamide

CM4298-1339 Screening compound: N-(4-fluorophenyl)-3-(3-isopropyl-1-methyl-1H-1,2,4-triazol-5-yl)-1-azetanecarboxamide
CM4298-1339 Screening compound: N-(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 CM4298-1339
N-(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

CM4298-1339

Molecular Formula

C16H20FN5O (C16 H20 FN5 O)

Compound Name

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

IUPAC name

N-(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)ccc2F)=O)n1

InChI

InChI=1S/C16H20FN5O/c1-10(2)14-19-15(21(3)20-14)11-8-22(9-11)16(23)18-13-6-4-12(17)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,18,23)

InChI Key

NATVVPNBFXVMKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30460003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

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

2.387

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-3.03

Polar Surface Area

49.978

Acid Dissociation Constant (pKa)

11.69

Base Dissociation Constant (pKb)

5.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

References: we are preparing a list of scientific research reports with CM4298-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4298-1339?
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What is the minimum amount of CM4298-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4298-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4298-1339
  • 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 CM4298-1339 available by request