G946-0315 Screening compound: 2-(4-chlorophenyl)-N~1~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

G946-0315 Screening compound: 2-(4-chlorophenyl)-N~1~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
G946-0315 Screening compound: 2-(4-chlorophenyl)-N~1~-{[3-(11-oxo-10-propyl-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 G946-0315
2-(4-chlorophenyl)-N~1~-{[3-(11-oxo-10-propyl-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

G946-0315

Molecular Formula

C27H23ClN4O3S (C27 H23 ClN4 O3 S)

Compound Name

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

SMILES

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

InChI

InChI=1S/C27H23ClN4O3S/c1-2-13-32-21-12-9-18(15-23(21)36-22-6-4-3-5-20(22)27(32)34)26-30-25(35-31-26)16-29-24(33)14-17-7-10-19(28)11-8-17/h3-12,15H,2,13-14,16H2,1H3,(H,29,33)

InChI Key

MSUSLLSPCOYVIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.288

Distribution Coefficient, logD

6.288

Water Solubility, LogSw

-5.99

Polar Surface Area

71.193

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

G946-0315 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 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:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • 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 G946-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0315?
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What is the minimum amount of G946-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0315
  • 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 G946-0315 available by request