G947-0061 Screening compound: 1-azepanyl [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] sulfone

G947-0061 Screening compound: 1-azepanyl [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] sulfone
G947-0061 Screening compound: 1-azepanyl [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound G947-0061
1-azepanyl [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] sulfone

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

G947-0061

Molecular Formula

C15H19N3O3S (C15 H19 N3 O3 S)

Compound Name

1-azepanyl [3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl] sulfone

IUPAC name

1-[3-(5-methyl-124-oxadiazol-3-yl)benzenesulfonyl]azepane

SMILES

Cc1nc(-c2cccc(S(N3CCCCCC3)(=O)=O)c2)no1

InChI

InChI=1S/C15H19N3O3S/c1-12-16-15(17-21-12)13-7-6-8-14(11-13)22(19,20)18-9-4-2-3-5-10-18/h6-8,11H,2-5,9-10H2,1H3

InChI Key

YWCNBBWOBIKWNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.193

Distribution Coefficient, logD

3.193

Water Solubility, LogSw

-3.34

Polar Surface Area

63.186

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

G947-0061 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular

References: we are preparing a list of scientific research reports with G947-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G947-0061?
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What is the minimum amount of G947-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G947-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G947-0061
  • 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 G947-0061 available by request