E776-0092 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

E776-0092 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
E776-0092 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0092
N-(2H-1,3-benzodioxol-5-yl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]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

E776-0092

Molecular Formula

C26H22N2O4S (C26 H22 N2 O4 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-13-oxazol-2-yl)benzamide

SMILES

Cc1c(CSc2ccc(C)cc2)nc(-c(cc2)ccc2C(Nc(cc2)cc3c2OCO3)=O)o1

InChI

InChI=1S/C26H22N2O4S/c1-16-3-10-21(11-4-16)33-14-22-17(2)32-26(28-22)19-7-5-18(6-8-19)25(29)27-20-9-12-23-24(13-20)31-15-30-23/h3-13H,14-15H2,1-2H3,(H,27,29)

InChI Key

IXVLBVVETZMQPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.829

Distribution Coefficient, logD

5.828

Water Solubility, LogSw

-5.46

Polar Surface Area

58.296

Acid Dissociation Constant (pKa)

9.99

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E776-0092 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E776-0092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0092?
Check Price and Availability of E776-0092, 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 E776-0092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0092
  • 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 E776-0092 available by request