G946-0322 Screening compound: N~4~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

G946-0322 Screening compound: N~4~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide
G946-0322 Screening compound: N~4~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0322
N~4~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,1,3-benzothiadiazole-4-sulfonamide

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

G946-0322

Molecular Formula

C25H20N6O4S3 (C25 H20 N6 O4 S3)

Compound Name

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

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]-213-benzothiadiazole-4-sulfonamide

SMILES

CCCN(c(ccc(-c1noc(CNS(c2cccc3nsnc23)(=O)=O)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C25H20N6O4S3/c1-2-12-31-18-11-10-15(13-20(18)36-19-8-4-3-6-16(19)25(31)32)24-27-22(35-28-24)14-26-38(33,34)21-9-5-7-17-23(21)30-37-29-17/h3-11,13,26H,2,12,14H2,1H3

InChI Key

UWGJZHNYECIWDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.67

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.662

Distribution Coefficient, logD

4.548

Water Solubility, LogSw

-5.42

Polar Surface Area

109.705

Acid Dissociation Constant (pKa)

6.32

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

G946-0322 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with G946-0322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0322?
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What is the minimum amount of G946-0322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0322
  • 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 G946-0322 available by request