G946-0281 Screening compound: 7-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one

G946-0281 Screening compound: 7-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one
G946-0281 Screening compound: 7-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G946-0281
7-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one

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

G946-0281

Molecular Formula

C27H27N3O2S (C27 H27 N3 O2 S)

Compound Name

7-[5-(1-adamantyl)-1,2,4-oxadiazol-3-yl]-10-ethyldibenzo[b,f][1,4]thiazepin-11(10H)-one

IUPAC name

5-[5-(adamantan-1-yl)-124-oxadiazol-3-yl]-9-ethyl-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-10-one

SMILES

CCN(c(ccc(-c1noc(C2(CC(C3)C4)CC4CC3C2)n1)c1)c1Sc1c2cccc1)C2=O

InChI

InChI=1S/C27H27N3O2S/c1-2-30-21-8-7-19(12-23(21)33-22-6-4-3-5-20(22)25(30)31)24-28-26(32-29-24)27-13-16-9-17(14-27)11-18(10-16)15-27/h3-8,12,16-18H,2,9-11,13-15H2,1H3

InChI Key

QFGNNXURTVOZIQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.631

Distribution Coefficient, logD

7.631

Water Solubility, LogSw

-5.72

Polar Surface Area

46.836

Acid Dissociation Constant (pKa)

25.02

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

G946-0281 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with G946-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G946-0281?
Check Price and Availability of G946-0281, 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 G946-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G946-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G946-0281
  • 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 G946-0281 available by request