G946-0032 Screening compound: 4-methyl-N~1~-{2-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1-benzenesulfonamide

G946-0032 Screening compound: 4-methyl-N~1~-{2-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1-benzenesulfonamide
G946-0032 Screening compound: 4-methyl-N~1~-{2-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0032
4-methyl-N~1~-{2-[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]ethyl}-1-benzenesulfonamide

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

G946-0032

Molecular Formula

C25H22N4O4S2 (C25 H22 N4 O4 S2)

Compound Name

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

IUPAC name

4-methyl-N-[2-(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)ethyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NCCc1nc(-c(cc2)cc(Sc3c4cccc3)c2N(C)C4=O)no1)(=O)=O

InChI

InChI=1S/C25H22N4O4S2/c1-16-7-10-18(11-8-16)35(31,32)26-14-13-23-27-24(28-33-23)17-9-12-20-22(15-17)34-21-6-4-3-5-19(21)25(30)29(20)2/h3-12,15,26H,13-14H2,1-2H3

InChI Key

FGCJMJLARAQYRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.114

Distribution Coefficient, logD

5.113

Water Solubility, LogSw

-4.81

Polar Surface Area

88.381

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

-4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G946-0032 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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
  • 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 G946-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0032?
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What is the minimum amount of G946-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0032
  • 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 G946-0032 available by request