M339-1348 Screening compound: N-(3-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

M339-1348 Screening compound: N-(3-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
M339-1348 Screening compound: N-(3-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M339-1348
N-(3-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)-2,3-dihydro-1,4-benzodioxine-2-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

M339-1348

Molecular Formula

C24H18ClN3O5 (C24 H18 ClN3 O5)

Compound Name

N-(3-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy}phenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-(3-{[5-(4-chlorophenyl)-134-oxadiazol-2-yl]methoxy}phenyl)-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

O=C(C1Oc(cccc2)c2OC1)Nc1cccc(OCc2nnc(-c(cc3)ccc3Cl)o2)c1

InChI

InChI=1S/C24H18ClN3O5/c25-16-10-8-15(9-11-16)24-28-27-22(33-24)14-30-18-5-3-4-17(12-18)26-23(29)21-13-31-19-6-1-2-7-20(19)32-21/h1-12,21H,13-14H2,(H,26,29)/t21-/m0/s1

InChI Key

HSWQPCVXUZQIKJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27537495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.88

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.529

Distribution Coefficient, logD

4.529

Water Solubility, LogSw

-4.76

Polar Surface Area

76.176

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

M339-1348 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M339-1348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M339-1348?
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What is the minimum amount of M339-1348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M339-1348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M339-1348
  • 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 M339-1348 available by request