E776-0464 Screening compound: 1-cyclohexyl-4-(4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzoyl)piperazine

E776-0464 Screening compound: 1-cyclohexyl-4-(4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzoyl)piperazine
E776-0464 Screening compound: 1-cyclohexyl-4-(4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzoyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0464
1-cyclohexyl-4-(4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzoyl)piperazine

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

E776-0464

Molecular Formula

C28H33N3O2S (C28 H33 N3 O2 S)

Compound Name

1-cyclohexyl-4-(4-{5-methyl-4-[(phenylsulfanyl)methyl]-1,3-oxazol-2-yl}benzoyl)piperazine

IUPAC name

1-cyclohexyl-4-(4-{5-methyl-4-[(phenylsulfanyl)methyl]-13-oxazol-2-yl}benzoyl)piperazine

SMILES

Cc1c(CSc2ccccc2)nc(-c(cc2)ccc2C(N(CC2)CCN2C2CCCCC2)=O)o1

InChI

InChI=1S/C28H33N3O2S/c1-21-26(20-34-25-10-6-3-7-11-25)29-27(33-21)22-12-14-23(15-13-22)28(32)31-18-16-30(17-19-31)24-8-4-2-5-9-24/h3,6-7,10-15,24H,2,4-5,8-9,16-20H2,1H3

InChI Key

ZKMUSMCJPDMGSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.125

Distribution Coefficient, logD

4.963

Water Solubility, LogSw

-4.88

Polar Surface Area

37.831

Acid Dissociation Constant (pKa)

28.39

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

E776-0464 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E776-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0464?
Check Price and Availability of E776-0464, 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 E776-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0464
  • 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 E776-0464 available by request