E776-0047 Screening compound: ethyl 3-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamido]benzoate

E776-0047 Screening compound: ethyl 3-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamido]benzoate
E776-0047 Screening compound: ethyl 3-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0047
ethyl 3-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamido]benzoate

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

E776-0047

Molecular Formula

C28H26N2O4S (C28 H26 N2 O4 S)

Compound Name

ethyl 3-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamido]benzoate

IUPAC name

ethyl 3-[4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-13-oxazol-2-yl)benzamido]benzoate

SMILES

CCOC(c1cccc(NC(c(cc2)ccc2-c2nc(CSc3ccc(C)cc3)c(C)o2)=O)c1)=O

InChI

InChI=1S/C28H26N2O4S/c1-4-33-28(32)22-6-5-7-23(16-22)29-26(31)20-10-12-21(13-11-20)27-30-25(19(3)34-27)17-35-24-14-8-18(2)9-15-24/h5-16H,4,17H2,1-3H3,(H,29,31)

InChI Key

VMAAKRVUUMSZTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

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

6.778

Distribution Coefficient, logD

6.777

Water Solubility, LogSw

-5.59

Polar Surface Area

61.934

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

E776-0047 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E776-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0047?
Check Price and Availability of E776-0047, 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 E776-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0047
  • 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 E776-0047 available by request