D305-0333 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}acetamide

D305-0333 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}acetamide
D305-0333 Screening compound: 2-(4-chloro-3-methylphenoxy)-N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0333
2-(4-chloro-3-methylphenoxy)-N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}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

D305-0333

Molecular Formula

C26H34ClN5O2 (C26 H34 ClN5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN1CCN(Cc2nc(cc(cc3)NC(COc(cc4)cc(C)c4Cl)=O)c3n2C(C)C)CC1

InChI

InChI=1S/C26H34ClN5O2/c1-5-30-10-12-31(13-11-30)16-25-29-23-15-20(6-9-24(23)32(25)18(2)3)28-26(33)17-34-21-7-8-22(27)19(4)14-21/h6-9,14-15,18H,5,10-13,16-17H2,1-4H3,(H,28,33)

InChI Key

WXGFWUQAVYSUDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14279842

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

484.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.660

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-4.63

Polar Surface Area

50.136

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D305-0333 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with D305-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0333?
Check Price and Availability of D305-0333, 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 D305-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0333
  • 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 D305-0333 available by request