E776-1531 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}benzamide

E776-1531 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}benzamide
E776-1531 Screening compound: N-[(2-methoxyphenyl)methyl]-4-{5-methyl-4-[(4-methylbenzenesulfinyl)methyl]-1,3-oxazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-1531
N-[(2-methoxyphenyl)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

E776-1531

Molecular Formula

C27H26N2O4S (C27 H26 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(CS(c2ccc(C)cc2)=O)nc(-c(cc2)ccc2C(NCc(cccc2)c2OC)=O)o1

InChI

InChI=1S/C27H28N2O4S/c1-18-8-14-23(15-9-18)34(31)17-24-19(2)33-27(29-24)21-12-10-20(11-13-21)26(30)28-16-22-6-4-5-7-25(22)32-3/h4-15H,16-17,34H2,1-3H3,(H,28,30)

InChI Key

BNICGBHCZDSEHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14918034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.771

Distribution Coefficient, logD

4.771

Water Solubility, LogSw

-4.58

Polar Surface Area

65.545

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

-1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

E776-1531 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E776-1531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-1531?
Check Price and Availability of E776-1531, 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 E776-1531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-1531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-1531
  • 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 E776-1531 available by request