E567-0085 Screening compound: N-[(1,2-benzoxazol-3-yl)methyl]-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

E567-0085 Screening compound: N-[(1,2-benzoxazol-3-yl)methyl]-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide
E567-0085 Screening compound: N-[(1,2-benzoxazol-3-yl)methyl]-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E567-0085
N-[(1,2-benzoxazol-3-yl)methyl]-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

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

E567-0085

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

N-[(1,2-benzoxazol-3-yl)methyl]-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

IUPAC name

N-[(12-benzoxazol-3-yl)methyl]-3-methyl-4-(4-methylphenyl)piperazine-1-carboxamide

SMILES

CC(CN(CC1)C(NCc2noc3c2cccc3)=O)N1c1ccc(C)cc1

InChI

InChI=1S/C21H24N4O2/c1-15-7-9-17(10-8-15)25-12-11-24(14-16(25)2)21(26)22-13-19-18-5-3-4-6-20(18)27-23-19/h3-10,16H,11-14H2,1-2H3,(H,22,26)/t16-/m0/s1

InChI Key

FMNXPIWNZFIBPA-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14899006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.740

Water Solubility, LogSw

-3.85

Polar Surface Area

52.203

Acid Dissociation Constant (pKa)

14.26

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

E567-0085 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E567-0085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E567-0085?
Check Price and Availability of E567-0085, 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 E567-0085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E567-0085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E567-0085
  • 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 E567-0085 available by request