E776-1594 Screening compound: N-[(4-ethoxyphenyl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}benzamide

E776-1594 Screening compound: N-[(4-ethoxyphenyl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}benzamide
E776-1594 Screening compound: N-[(4-ethoxyphenyl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-1594
N-[(4-ethoxyphenyl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}benzamide

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

E776-1594

Molecular Formula

C28H28N2O4S (C28 H28 N2 O4 S)

Compound Name

N-[(4-ethoxyphenyl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}benzamide

IUPAC name

N-[(4-ethoxyphenyl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-13-oxazol-2-yl}benzamide

SMILES

CCOc1ccc(CNC(c(cc2)ccc2-c2nc(CS(c3ccc(C)cc3)=O)c(C)o2)=O)cc1

InChI

InChI=1S/C28H30N2O4S/c1-4-33-24-13-7-21(8-14-24)17-29-27(31)22-9-11-23(12-10-22)28-30-26(20(3)34-28)18-35(32)25-15-5-19(2)6-16-25/h5-16H,4,17-18,35H2,1-3H3,(H,29,31)

InChI Key

MKXQPMLRQRAWES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.919

Distribution Coefficient, logD

4.919

Water Solubility, LogSw

-4.48

Polar Surface Area

65.038

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E776-1594 in Drug Discovery

Included in Screening Libraries

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E776-1594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-1594?
Check Price and Availability of E776-1594, 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 E776-1594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-1594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-1594
  • 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 E776-1594 available by request