D011-4221 Screening compound: N-(2-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide

D011-4221 Screening compound: N-(2-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide
D011-4221 Screening compound: N-(2-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-4221
N-(2-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide

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

D011-4221

Molecular Formula

C25H25N3O2 (C25 H25 N3 O2)

Compound Name

N-(2-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide

IUPAC name

N-(2-{1-[(4-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}ethyl)-2-phenoxyacetamide

SMILES

Cc1ccc(Cn2c(cccc3)c3nc2CCNC(COc2ccccc2)=O)cc1

InChI

InChI=1S/C25H25N3O2/c1-19-11-13-20(14-12-19)17-28-23-10-6-5-9-22(23)27-24(28)15-16-26-25(29)18-30-21-7-3-2-4-8-21/h2-14H,15-18H2,1H3,(H,26,29)

InChI Key

PDBPMEVSNHUVPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04214095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.327

Distribution Coefficient, logD

4.320

Water Solubility, LogSw

-4.25

Polar Surface Area

42.684

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D011-4221 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D011-4221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-4221?
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What is the minimum amount of D011-4221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-4221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-4221
  • 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 D011-4221 available by request