D011-5279 Screening compound: N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenylacetamide

D011-5279 Screening compound: N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenylacetamide
D011-5279 Screening compound: N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5279
N-(2-{1-[(4-chlorophenyl)methyl]-1H-1,3-benzodiazol-2-yl}ethyl)-2-phenylacetamide

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

D011-5279

Molecular Formula

C24H22ClN3O (C24 H22 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc1ccccc1)NCCc1nc(cccc2)c2n1Cc(cc1)ccc1Cl

InChI

InChI=1S/C24H22ClN3O/c25-20-12-10-19(11-13-20)17-28-22-9-5-4-8-21(22)27-23(28)14-15-26-24(29)16-18-6-2-1-3-7-18/h1-13H,14-17H2,(H,26,29)

InChI Key

PGCZOSQXURBZJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07349397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.91

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.520

Distribution Coefficient, logD

4.513

Water Solubility, LogSw

-4.77

Polar Surface Area

35.185

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D011-5279 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D011-5279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5279?
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What is the minimum amount of D011-5279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5279
  • 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 D011-5279 available by request