E776-0197 Screening compound: 1-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide

E776-0197 Screening compound: 1-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide
E776-0197 Screening compound: 1-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0197
1-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide

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

E776-0197

Molecular Formula

C25H27N3O3S (C25 H27 N3 O3 S)

Compound Name

1-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxamide

IUPAC name

1-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-13-oxazol-2-yl)benzoyl]piperidine-4-carboxamide

SMILES

Cc1c(CSc2ccc(C)cc2)nc(-c(cc2)ccc2C(N(CC2)CCC2C(N)=O)=O)o1

InChI

InChI=1S/C25H27N3O3S/c1-16-3-9-21(10-4-16)32-15-22-17(2)31-24(27-22)19-5-7-20(8-6-19)25(30)28-13-11-18(12-14-28)23(26)29/h3-10,18H,11-15H2,1-2H3,(H2,26,29)

InChI Key

CCZIQPWDUDYGDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.456

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-3.49

Polar Surface Area

68.796

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

4.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E776-0197 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 E776-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0197?
Check Price and Availability of E776-0197, 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 E776-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0197
  • 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 E776-0197 available by request