D305-0417 Screening compound: N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide

D305-0417 Screening compound: N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide
D305-0417 Screening compound: N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0417
N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide

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

D305-0417

Molecular Formula

C30H35N5O2 (C30 H35 N5 O2)

Compound Name

N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide

IUPAC name

N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-ethyl-1H-13-benzodiazol-5-yl}-2-(3-methylphenoxy)acetamide

SMILES

CCn1c(ccc(NC(COc2cc(C)ccc2)=O)c2)c2nc1CN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C30H35N5O2/c1-3-35-28-13-12-25(31-30(36)22-37-26-11-7-8-23(2)18-26)19-27(28)32-29(35)21-34-16-14-33(15-17-34)20-24-9-5-4-6-10-24/h4-13,18-19H,3,14-17,20-22H2,1-2H3,(H,31,36)

InChI Key

QWCXHBGFEKESQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09767191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.774

Distribution Coefficient, logD

4.504

Water Solubility, LogSw

-4.49

Polar Surface Area

48.790

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D305-0417 in Drug Discovery

Included in Screening Libraries

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D305-0417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0417?
Check Price and Availability of D305-0417, 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 D305-0417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0417
  • 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 D305-0417 available by request