E776-1523 Screening compound: 4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}-N-[2-(4-methylphenyl)ethyl]benzamide

E776-1523 Screening compound: 4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}-N-[2-(4-methylphenyl)ethyl]benzamide
E776-1523 Screening compound: 4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}-N-[2-(4-methylphenyl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-1523
4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}-N-[2-(4-methylphenyl)ethyl]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

E776-1523

Molecular Formula

C28H28N2O3S (C28 H28 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CS(c2ccc(C)cc2)=O)nc(-c(cc2)ccc2C(NCCc2ccc(C)cc2)=O)o1

InChI

InChI=1S/C28H30N2O3S/c1-19-4-8-22(9-5-19)16-17-29-27(31)23-10-12-24(13-11-23)28-30-26(21(3)33-28)18-34(32)25-14-6-20(2)7-15-25/h4-15H,16-18,34H2,1-3H3,(H,29,31)

InChI Key

KMSJMJJRKDROQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.907

Distribution Coefficient, logD

4.907

Water Solubility, LogSw

-4.52

Polar Surface Area

57.756

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with E776-1523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-1523?
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What is the minimum amount of E776-1523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-1523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-1523
  • 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 E776-1523 available by request