G786-0428 Screening compound: N-[5-(2-methanesulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

G786-0428 Screening compound: N-[5-(2-methanesulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
G786-0428 Screening compound: N-[5-(2-methanesulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0428
N-[5-(2-methanesulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-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

G786-0428

Molecular Formula

C18H15N3O6S (C18 H15 N3 O6 S)

Compound Name

N-[5-(2-methanesulfonylphenyl)-1,3,4-oxadiazol-2-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-[5-(2-methanesulfonylphenyl)-134-oxadiazol-2-yl]-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

CS(c(cccc1)c1-c1nnc(NC(c(cc2)cc3c2OCCO3)=O)o1)(=O)=O

InChI

InChI=1S/C18H15N3O6S/c1-28(23,24)15-5-3-2-4-12(15)17-20-21-18(27-17)19-16(22)11-6-7-13-14(10-11)26-9-8-25-13/h2-7,10H,8-9H2,1H3,(H,19,21,22)

InChI Key

GEOIVLFFOUNSTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07648409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.081

Distribution Coefficient, logD

0.070

Water Solubility, LogSw

-2.43

Polar Surface Area

100.730

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G786-0428 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G786-0428 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0428?
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What is the minimum amount of G786-0428 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0428
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0428
  • 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 G786-0428 available by request