D305-0108 Screening compound: 2-(4-tert-butylphenoxy)-N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}acetamide

D305-0108 Screening compound: 2-(4-tert-butylphenoxy)-N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}acetamide
D305-0108 Screening compound: 2-(4-tert-butylphenoxy)-N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0108
2-(4-tert-butylphenoxy)-N-{2-[(4-methylpiperazin-1-yl)methyl]-1-propyl-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

D305-0108

Molecular Formula

C28H39N5O2 (C28 H39 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCn1c(ccc(NC(COc2ccc(C(C)(C)C)cc2)=O)c2)c2nc1CN1CCN(C)CC1

InChI

InChI=1S/C28H39N5O2/c1-6-13-33-25-12-9-22(18-24(25)30-26(33)19-32-16-14-31(5)15-17-32)29-27(34)20-35-23-10-7-21(8-11-23)28(2,3)4/h7-12,18H,6,13-17,19-20H2,1-5H3,(H,29,34)

InChI Key

YBALNJDVBONULV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09767198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.65

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

5.036

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.60

Polar Surface Area

48.979

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D305-0108 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D305-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0108?
Check Price and Availability of D305-0108, 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 D305-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0108
  • 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 D305-0108 available by request