G946-0330 Screening compound: 7-[5-(3-{[(4-methylphenyl)sulfonyl]methyl}phenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0330 Screening compound: 7-[5-(3-{[(4-methylphenyl)sulfonyl]methyl}phenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0330 Screening compound: 7-[5-(3-{[(4-methylphenyl)sulfonyl]methyl}phenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0330
7-[5-(3-{[(4-methylphenyl)sulfonyl]methyl}phenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one

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

G946-0330

Molecular Formula

C32H27N3O4S2 (C32 H27 N3 O4 S2)

Compound Name

7-[5-(3-{[(4-methylphenyl)sulfonyl]methyl}phenyl)-1,2,4-oxadiazol-3-yl]-10-propyldibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

5-(5-{3-[(4-methylbenzenesulfonyl)methyl]phenyl}-124-oxadiazol-3-yl)-9-propyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

CCCN(c(ccc(-c1noc(-c2cccc(CS(c3ccc(C)cc3)(=O)=O)c2)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C32H27N3O4S2/c1-3-17-35-27-16-13-23(19-29(27)40-28-10-5-4-9-26(28)32(35)36)30-33-31(39-34-30)24-8-6-7-22(18-24)20-41(37,38)25-14-11-21(2)12-15-25/h4-16,18-19H,3,17,20H2,1-2H3

InChI Key

CZLLIBSVJAHHIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.72

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.625

Distribution Coefficient, logD

7.625

Water Solubility, LogSw

-5.65

Polar Surface Area

75.821

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

-5.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

G946-0330 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G946-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0330?
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What is the minimum amount of G946-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0330
  • 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 G946-0330 available by request