CM4297-0342 Screening compound: 4-[1-(4-tert-butylbenzoyl)azetidin-3-yl]-3-methyl-4H-1,2,4-triazole

CM4297-0342 Screening compound: 4-[1-(4-tert-butylbenzoyl)azetidin-3-yl]-3-methyl-4H-1,2,4-triazole
CM4297-0342 Screening compound: 4-[1-(4-tert-butylbenzoyl)azetidin-3-yl]-3-methyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM4297-0342
4-[1-(4-tert-butylbenzoyl)azetidin-3-yl]-3-methyl-4H-1,2,4-triazole

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

CM4297-0342

Molecular Formula

C17H22N4O (C17 H22 N4 O)

Compound Name

4-[1-(4-tert-butylbenzoyl)azetidin-3-yl]-3-methyl-4H-1,2,4-triazole

IUPAC name

4-[1-(4-tert-butylbenzoyl)azetidin-3-yl]-3-methyl-4H-124-triazole

SMILES

CC(C)(C)c(cc1)ccc1C(N(C1)CC1n1c(C)nnc1)=O

InChI

InChI=1S/C17H22N4O/c1-12-19-18-11-21(12)15-9-20(10-15)16(22)13-5-7-14(8-6-13)17(2,3)4/h5-8,11,15H,9-10H2,1-4H3

InChI Key

NPFZNFJBWIUIRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30458182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.004

Distribution Coefficient, logD

2.004

Water Solubility, LogSw

-2.15

Polar Surface Area

42.318

Acid Dissociation Constant (pKa)

17.86

Base Dissociation Constant (pKb)

6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

CM4297-0342 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with CM4297-0342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM4297-0342?
Check Price and Availability of CM4297-0342, 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 CM4297-0342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM4297-0342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM4297-0342
  • 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 CM4297-0342 available by request