G946-0018 Screening compound: N~1~-{[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenylacetamide

G946-0018 Screening compound: N~1~-{[3-(10-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]methyl}-2,2-diphenylacetamide
G946-0018 Screening compound: N~1~-{[3-(10-methyl-11-oxo-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 G946-0018
N~1~-{[3-(10-methyl-11-oxo-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

G946-0018

Molecular Formula

C31H24N4O3S (C31 H24 N4 O3 S)

Compound Name

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

IUPAC name

N-[(3-{9-methyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-5-yl}-124-oxadiazol-5-yl)methyl]-22-diphenylacetamide

SMILES

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

InChI

InChI=1S/C31H24N4O3S/c1-35-24-17-16-22(18-26(24)39-25-15-9-8-14-23(25)31(35)37)29-33-27(38-34-29)19-32-30(36)28(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-18,28H,19H2,1H3,(H,32,36)

InChI Key

VLFUEYFFOJQEQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.817

Distribution Coefficient, logD

5.817

Water Solubility, LogSw

-5.53

Polar Surface Area

70.923

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

G946-0018 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G946-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0018?
Check Price and Availability of G946-0018, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G946-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0018
  • 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 G946-0018 available by request