E776-0218 Screening compound: 8-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

E776-0218 Screening compound: 8-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane
E776-0218 Screening compound: 8-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0218
8-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

E776-0218

Molecular Formula

C26H28N2O4S (C26 H28 N2 O4 S)

Compound Name

8-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzoyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-13-oxazol-2-yl)benzoyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

Cc1c(CSc2ccc(C)cc2)nc(-c(cc2)ccc2C(N(CC2)CCC22OCCO2)=O)o1

InChI

InChI=1S/C26H28N2O4S/c1-18-3-9-22(10-4-18)33-17-23-19(2)32-24(27-23)20-5-7-21(8-6-20)25(29)28-13-11-26(12-14-28)30-15-16-31-26/h3-10H,11-17H2,1-2H3

InChI Key

HAIKOWRDOQZPGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

4.139

Water Solubility, LogSw

-4.06

Polar Surface Area

49.174

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E776-0218 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E776-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0218?
Check Price and Availability of E776-0218, 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 E776-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0218
  • 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 E776-0218 available by request