G946-0318 Screening compound: N~1~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenylacetamide

G946-0318 Screening compound: N~1~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenylacetamide
G946-0318 Screening compound: N~1~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0318
N~1~-{[3-(11-oxo-10-propyl-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenylacetamide

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

G946-0318

Molecular Formula

C33H28N4O3S (C33 H28 N4 O3 S)

Compound Name

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

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]-22-diphenylacetamide

SMILES

CCCN(c(ccc(-c1noc(CNC(C(c2ccccc2)c2ccccc2)=O)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C33H28N4O3S/c1-2-19-37-26-18-17-24(20-28(26)41-27-16-10-9-15-25(27)33(37)39)31-35-29(40-36-31)21-34-32(38)30(22-11-5-3-6-12-22)23-13-7-4-8-14-23/h3-18,20,30H,2,19,21H2,1H3,(H,34,38)

InChI Key

WKVWJNYBWZXBCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15076724

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

560.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.223

Distribution Coefficient, logD

7.223

Water Solubility, LogSw

-5.66

Polar Surface Area

71.135

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

G946-0318 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0318?
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What is the minimum amount of G946-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0318
  • 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 G946-0318 available by request