G946-0015 Screening compound: 2-(4-chlorophenyl)-N~1~-{[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

G946-0015 Screening compound: 2-(4-chlorophenyl)-N~1~-{[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
G946-0015 Screening compound: 2-(4-chlorophenyl)-N~1~-{[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0015
2-(4-chlorophenyl)-N~1~-{[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

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

G946-0015

Molecular Formula

C25H19ClN4O3S (C25 H19 ClN4 O3 S)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-N-[(3-{9-methyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-124-oxadiazol-5-yl)methyl]acetamide

SMILES

CN(c(ccc(-c1noc(CNC(Cc(cc2)ccc2Cl)=O)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C25H19ClN4O3S/c1-30-19-11-8-16(13-21(19)34-20-5-3-2-4-18(20)25(30)32)24-28-23(33-29-24)14-27-22(31)12-15-6-9-17(26)10-7-15/h2-11,13H,12,14H2,1H3,(H,27,31)

InChI Key

LXVRHTWXYIZJGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.882

Distribution Coefficient, logD

4.882

Water Solubility, LogSw

-4.89

Polar Surface Area

70.981

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

G946-0015 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G946-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0015?
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What is the minimum amount of G946-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0015
  • 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 G946-0015 available by request