G946-0277 Screening compound: N~1~-{4-[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

G946-0277 Screening compound: N~1~-{4-[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide
G946-0277 Screening compound: N~1~-{4-[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0277
N~1~-{4-[3-(10-ethyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepin-7-yl)-1,2,4-oxadiazol-5-yl]phenyl}acetamide

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

G946-0277

Molecular Formula

C25H20N4O3S (C25 H20 N4 O3 S)

Compound Name

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

IUPAC name

N-[4-(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)phenyl]acetamide

SMILES

CCN(c(ccc(-c1noc(-c(cc2)ccc2NC(C)=O)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C25H20N4O3S/c1-3-29-20-13-10-17(14-22(20)33-21-7-5-4-6-19(21)25(29)31)23-27-24(32-28-23)16-8-11-18(12-9-16)26-15(2)30/h4-14H,3H2,1-2H3,(H,26,30)

InChI Key

YONADHQWXPFGTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27169679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.309

Distribution Coefficient, logD

5.309

Water Solubility, LogSw

-5.21

Polar Surface Area

70.065

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

G946-0277 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with G946-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0277?
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What is the minimum amount of G946-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0277
  • 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 G946-0277 available by request