G946-0159 Screening compound: N~2~-{[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-furamide

G946-0159 Screening compound: N~2~-{[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-furamide
G946-0159 Screening compound: N~2~-{[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0159
N~2~-{[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2-furamide

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

G946-0159

Molecular Formula

C23H18N4O4S (C23 H18 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(c(ccc(-c1noc(CNC(c2ccco2)=O)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C23H18N4O4S/c1-2-27-16-10-9-14(12-19(16)32-18-8-4-3-6-15(18)23(27)29)21-25-20(31-26-21)13-24-22(28)17-7-5-11-30-17/h3-12H,2,13H2,1H3,(H,24,28)

InChI Key

LSNCZKACSOGNGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.435

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.29

Polar Surface Area

79.732

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

-5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G946-0159 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 G946-0159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0159?
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What is the minimum amount of G946-0159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0159
  • 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 G946-0159 available by request