E776-0156 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide

E776-0156 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide
E776-0156 Screening compound: N-[2-(4-ethylpiperazin-1-yl)ethyl]-4-(5-methyl-4-{[(4-methylphenyl)sulfanyl]methyl}-1,3-oxazol-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E776-0156
N-[2-(4-ethylpiperazin-1-yl)ethyl]-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

E776-0156

Molecular Formula

C27H34N4O2S (C27 H34 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCN1CCN(CCNC(c(cc2)ccc2-c2nc(CSc3ccc(C)cc3)c(C)o2)=O)CC1

InChI

InChI=1S/C27H34N4O2S/c1-4-30-15-17-31(18-16-30)14-13-28-26(32)22-7-9-23(10-8-22)27-29-25(21(3)33-27)19-34-24-11-5-20(2)6-12-24/h5-12H,4,13-19H2,1-3H3,(H,28,32)

InChI Key

KMHLRGJFACORGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14917821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.86

Polar Surface Area

49.863

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

E776-0156 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 E776-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E776-0156?
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What is the minimum amount of E776-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E776-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E776-0156
  • 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 E776-0156 available by request