G946-0335 Screening compound: N~2~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-thiophenecarboxamide

G946-0335 Screening compound: N~2~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-thiophenecarboxamide
G946-0335 Screening compound: N~2~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0335
N~2~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-thiophenecarboxamide

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

G946-0335

Molecular Formula

C24H20N4O3S2 (C24 H20 N4 O3 S2)

Compound Name

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

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]thiophene-2-carboxamide

SMILES

CCCN(c(ccc(-c1noc(CNC(c2cccs2)=O)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C24H20N4O3S2/c1-2-11-28-17-10-9-15(13-20(17)33-18-7-4-3-6-16(18)24(28)30)22-26-21(31-27-22)14-25-23(29)19-8-5-12-32-19/h3-10,12-13H,2,11,14H2,1H3,(H,25,29)

InChI Key

ROKIDCHQEPQAML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

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

5.643

Distribution Coefficient, logD

5.643

Water Solubility, LogSw

-5.41

Polar Surface Area

72.425

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

G946-0335 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0335?
Check Price and Availability of G946-0335, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G946-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0335
  • 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 G946-0335 available by request