CM4697-2330 Screening compound: N-(3-fluoro-2-methylphenyl)-3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}azetidine-1-carboxamide

CM4697-2330 Screening compound: N-(3-fluoro-2-methylphenyl)-3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}azetidine-1-carboxamide
CM4697-2330 Screening compound: N-(3-fluoro-2-methylphenyl)-3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}azetidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4697-2330
N-(3-fluoro-2-methylphenyl)-3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}azetidine-1-carboxamide

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

CM4697-2330

Molecular Formula

C17H22FN5O (C17 H22 FN5 O)

Compound Name

N-(3-fluoro-2-methylphenyl)-3-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}azetidine-1-carboxamide

IUPAC name

N-(3-fluoro-2-methylphenyl)-3-{[4-(propan-2-yl)-4H-124-triazol-3-yl]methyl}azetidine-1-carboxamide

SMILES

CC(C)n1c(CC(C2)CN2C(Nc2cccc(F)c2C)=O)nnc1

InChI

InChI=1S/C17H22FN5O/c1-11(2)23-10-19-21-16(23)7-13-8-22(9-13)17(24)20-15-6-4-5-14(18)12(15)3/h4-6,10-11,13H,7-9H2,1-3H3,(H,20,24)

InChI Key

BVQWSURSJWTVCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30467575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

2.631

Water Solubility, LogSw

-3.00

Polar Surface Area

51.331

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

CM4697-2330 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with CM4697-2330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4697-2330?
Check Price and Availability of CM4697-2330, 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 CM4697-2330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4697-2330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4697-2330
  • 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 CM4697-2330 available by request