G946-0325 Screening compound: 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

G946-0325 Screening compound: 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
G946-0325 Screening compound: 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 G946-0325
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

G946-0325

Molecular Formula

C21H20N4O3S (C21 H20 N4 O3 S)

Compound Name

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

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(C)=O)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C21H20N4O3S/c1-3-10-25-16-9-8-14(20-23-19(28-24-20)12-22-13(2)26)11-18(16)29-17-7-5-4-6-15(17)21(25)27/h4-9,11H,3,10,12H2,1-2H3,(H,22,26)

InChI Key

CLWQXSQWTHWKKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.48

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

3.740

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-3.90

Polar Surface Area

71.578

Acid Dissociation Constant (pKa)

13.55

Base Dissociation Constant (pKb)

-4.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

G946-0325 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0325?
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What is the minimum amount of G946-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0325
  • 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 G946-0325 available by request