E776-0096 Screening compound: 4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

E776-0096 Screening compound: 4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
E776-0096 Screening compound: 4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0096
4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-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

E776-0096

Molecular Formula

C29H28N2O2S (C29 H28 N2 O2 S)

Compound Name

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

IUPAC name

4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-13-oxazol-2-yl)-N-(1234-tetrahydronaphthalen-1-yl)benzamide

SMILES

Cc1c(CSc2ccc(C)cc2)nc(-c(cc2)ccc2C(NC(CCC2)c3c2cccc3)=O)o1

InChI

InChI=1S/C29H28N2O2S/c1-19-10-16-24(17-11-19)34-18-27-20(2)33-29(31-27)23-14-12-22(13-15-23)28(32)30-26-9-5-7-21-6-3-4-8-25(21)26/h3-4,6,8,10-17,26H,5,7,9,18H2,1-2H3,(H,30,32)/t26-/m0/s1

InChI Key

GOCYFQDUINEGME-SANMLTNESA-N

MDL Number (MFCD)

MFCD14917789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.655

Distribution Coefficient, logD

6.654

Water Solubility, LogSw

-5.75

Polar Surface Area

42.346

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

E776-0096 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E776-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0096?
Check Price and Availability of E776-0096, 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 E776-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0096
  • 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 E776-0096 available by request