D305-0781 Screening compound: 2-(2-tert-butylphenoxy)-N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

D305-0781 Screening compound: 2-(2-tert-butylphenoxy)-N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide
D305-0781 Screening compound: 2-(2-tert-butylphenoxy)-N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0781
2-(2-tert-butylphenoxy)-N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-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

D305-0781

Molecular Formula

C28H37N5O3 (C28 H37 N5 O3)

Compound Name

2-(2-tert-butylphenoxy)-N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}acetamide

IUPAC name

2-(2-tert-butylphenoxy)-N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-13-benzodiazol-5-yl}acetamide

SMILES

CCC(N1CCN(Cc2nc(cc(cc3)NC(COc4c(C(C)(C)C)cccc4)=O)c3n2C)CC1)=O

InChI

InChI=1S/C28H37N5O3/c1-6-27(35)33-15-13-32(14-16-33)18-25-30-22-17-20(11-12-23(22)31(25)5)29-26(34)19-36-24-10-8-7-9-21(24)28(2,3)4/h7-12,17H,6,13-16,18-19H2,1-5H3,(H,29,34)

InChI Key

HSKBEAGCXKEILN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09767196

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.677

Distribution Coefficient, logD

3.083

Water Solubility, LogSw

-3.83

Polar Surface Area

62.621

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

D305-0781 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 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

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

References: we are preparing a list of scientific research reports with D305-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0781?
Check Price and Availability of D305-0781, 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 D305-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0781
  • 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 D305-0781 available by request