G946-0488 Screening compound: N~1~-{[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-benzenesulfonamide

G946-0488 Screening compound: N~1~-{[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-benzenesulfonamide
G946-0488 Screening compound: N~1~-{[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0488
N~1~-{[3-(10-cyclopropyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-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

G946-0488

Molecular Formula

C25H20N4O4S2 (C25 H20 N4 O4 S2)

Compound Name

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

IUPAC name

N-[(3-{9-cyclopropyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-124-oxadiazol-5-yl)methyl]benzenesulfonamide

SMILES

O=C1N(C2CC2)c(ccc(-c2noc(CNS(c3ccccc3)(=O)=O)n2)c2)c2Sc2c1cccc2

InChI

InChI=1S/C25H20N4O4S2/c30-25-19-8-4-5-9-21(19)34-22-14-16(10-13-20(22)29(25)17-11-12-17)24-27-23(33-28-24)15-26-35(31,32)18-6-2-1-3-7-18/h1-10,13-14,17,26H,11-12,15H2

InChI Key

ATYZVAHEXLXODO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.59

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

5.167

Distribution Coefficient, logD

5.095

Water Solubility, LogSw

-5.39

Polar Surface Area

88.055

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G946-0488 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)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0488?
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What is the minimum amount of G946-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0488
  • 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 G946-0488 available by request