G946-0615 Screening compound: 2-(4-chlorophenyl)-N~1~-{[3-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide

G946-0615 Screening compound: 2-(4-chlorophenyl)-N~1~-{[3-(10-cyclopentyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}acetamide
G946-0615 Screening compound: 2-(4-chlorophenyl)-N~1~-{[3-(10-cyclopentyl-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 G946-0615
2-(4-chlorophenyl)-N~1~-{[3-(10-cyclopentyl-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

G946-0615

Molecular Formula

C29H25ClN4O3S (C29 H25 ClN4 O3 S)

Compound Name

2-(4-chlorophenyl)-N~1~-{[3-(10-cyclopentyl-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-cyclopentyl-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

O=C(Cc(cc1)ccc1Cl)NCc1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C2CCCC2)C4=O)no1

InChI

InChI=1S/C29H25ClN4O3S/c30-20-12-9-18(10-13-20)15-26(35)31-17-27-32-28(33-37-27)19-11-14-23-25(16-19)38-24-8-4-3-7-22(24)29(36)34(23)21-5-1-2-6-21/h3-4,7-14,16,21H,1-2,5-6,15,17H2,(H,31,35)

InChI Key

JPEJUZAELRQLSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.06

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.363

Distribution Coefficient, logD

6.363

Water Solubility, LogSw

-6.33

Polar Surface Area

70.531

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

G946-0615 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

GPCR Targeted Library (31838 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
  • Others
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0615?
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What is the minimum amount of G946-0615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0615
  • 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 G946-0615 available by request