CM2897-6527 Screening compound: (5-methyl-4-isoxazolyl)[3-(3-phenethyl-1,2,4-oxadiazol-5-yl)-1-azetanyl]methanone

CM2897-6527 Screening compound: (5-methyl-4-isoxazolyl)[3-(3-phenethyl-1,2,4-oxadiazol-5-yl)-1-azetanyl]methanone
CM2897-6527 Screening compound: (5-methyl-4-isoxazolyl)[3-(3-phenethyl-1,2,4-oxadiazol-5-yl)-1-azetanyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound CM2897-6527
(5-methyl-4-isoxazolyl)[3-(3-phenethyl-1,2,4-oxadiazol-5-yl)-1-azetanyl]methanone

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

CM2897-6527

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

(5-methyl-4-isoxazolyl)[3-(3-phenethyl-1,2,4-oxadiazol-5-yl)-1-azetanyl]methanone

IUPAC name

5-[1-(5-methyl-12-oxazole-4-carbonyl)azetidin-3-yl]-3-(2-phenylethyl)-124-oxadiazole

SMILES

Cc(onc1)c1C(N(C1)CC1c1nc(CCc2ccccc2)no1)=O

InChI

InChI=1S/C18H18N4O3/c1-12-15(9-19-24-12)18(23)22-10-14(11-22)17-20-16(21-25-17)8-7-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-11H2,1H3

InChI Key

JARZDNGXHMIOQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30467062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.352

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-2.69

Polar Surface Area

71.366

Acid Dissociation Constant (pKa)

25.67

Base Dissociation Constant (pKb)

-0.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

CM2897-6527 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 CM2897-6527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM2897-6527?
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What is the minimum amount of CM2897-6527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM2897-6527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM2897-6527
  • 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 CM2897-6527 available by request