G946-0316 Screening compound: N~1~-{2-methyl-1-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]propyl}-1-benzenesulfonamide

G946-0316 Screening compound: N~1~-{2-methyl-1-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]propyl}-1-benzenesulfonamide
G946-0316 Screening compound: N~1~-{2-methyl-1-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]propyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0316
N~1~-{2-methyl-1-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]propyl}-1-benzenesulfonamide

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

G946-0316

Molecular Formula

C28H28N4O4S2 (C28 H28 N4 O4 S2)

Compound Name

N~1~-{2-methyl-1-[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]propyl}-1-benzenesulfonamide

IUPAC name

N-[2-methyl-1-(3-{10-oxo-9-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-124-oxadiazol-5-yl)propyl]benzenesulfonamide

SMILES

CCCN(c(ccc(-c1noc(C(C(C)C)NS(c2ccccc2)(=O)=O)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C28H28N4O4S2/c1-4-16-32-22-15-14-19(17-24(22)37-23-13-9-8-12-21(23)28(32)33)26-29-27(36-30-26)25(18(2)3)31-38(34,35)20-10-6-5-7-11-20/h5-15,17-18,25,31H,4,16H2,1-3H3/t25-/m0/s1

InChI Key

APKLHLAVYDYDED-VWLOTQADSA-N

MDL Number (MFCD)

MFCD27169702

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.030

Distribution Coefficient, logD

6.950

Water Solubility, LogSw

-5.59

Polar Surface Area

88.652

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

G946-0316 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0316?
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What is the minimum amount of G946-0316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0316
  • 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 G946-0316 available by request