M410-0315 Screening compound: N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

M410-0315 Screening compound: N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide
M410-0315 Screening compound: N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M410-0315
N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]-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

M410-0315

Molecular Formula

C18H17N3O4S (C18 H17 N3 O4 S)

Compound Name

N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methylthiophen-3-yl]-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-[5-(5-ethyl-134-oxadiazol-2-yl)-2-methylthiophen-3-yl]-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

CCc1nnc(-c2cc(NC(C3Oc(cccc4)c4OC3)=O)c(C)s2)o1

InChI

InChI=1S/C18H17N3O4S/c1-3-16-20-21-18(25-16)15-8-11(10(2)26-15)19-17(22)14-9-23-12-6-4-5-7-13(12)24-14/h4-8,14H,3,9H2,1-2H3,(H,19,22)/t14-/m0/s1

InChI Key

ODTZIGLIXSWVNZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27540179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.371

Distribution Coefficient, logD

3.371

Water Solubility, LogSw

-3.60

Polar Surface Area

69.269

Acid Dissociation Constant (pKa)

12.48

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

M410-0315 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 M410-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M410-0315?
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What is the minimum amount of M410-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M410-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M410-0315
  • 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 M410-0315 available by request