D305-0219 Screening compound: 2-(2-tert-butylphenoxy)-N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}acetamide

D305-0219 Screening compound: 2-(2-tert-butylphenoxy)-N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}acetamide
D305-0219 Screening compound: 2-(2-tert-butylphenoxy)-N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0219
2-(2-tert-butylphenoxy)-N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-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

D305-0219

Molecular Formula

C27H37N5O2 (C27 H37 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN1CCN(Cc2nc(cc(cc3)NC(COc4c(C(C)(C)C)cccc4)=O)c3n2C)CC1

InChI

InChI=1S/C27H37N5O2/c1-6-31-13-15-32(16-14-31)18-25-29-22-17-20(11-12-23(22)30(25)5)28-26(33)19-34-24-10-8-7-9-21(24)27(2,3)4/h7-12,17H,6,13-16,18-19H2,1-5H3,(H,28,33)

InChI Key

BEXVNPHQPDESIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.62

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

3.837

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-3.87

Polar Surface Area

49.958

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

D305-0219 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D305-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0219?
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What is the minimum amount of D305-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0219
  • 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 D305-0219 available by request