D125-2165 Screening compound: 1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

D125-2165 Screening compound: 1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one
D125-2165 Screening compound: 1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D125-2165
1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

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

D125-2165

Molecular Formula

C27H27N3O2 (C27 H27 N3 O2)

Compound Name

1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)-1H-1,3-benzodiazol-2-yl]pyrrolidin-2-one

IUPAC name

1-(4-ethoxyphenyl)-4-[1-(2-phenylethyl)-1H-13-benzodiazol-2-yl]pyrrolidin-2-one

SMILES

CCOc(cc1)ccc1N(CC(C1)c2nc(cccc3)c3n2CCc2ccccc2)C1=O

InChI

InChI=1S/C27H27N3O2/c1-2-32-23-14-12-22(13-15-23)30-19-21(18-26(30)31)27-28-24-10-6-7-11-25(24)29(27)17-16-20-8-4-3-5-9-20/h3-15,21H,2,16-19H2,1H3/t21-/m1/s1

InChI Key

QFYXLLXJJHKDKX-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD08163285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.242

Distribution Coefficient, logD

5.242

Water Solubility, LogSw

-5.07

Polar Surface Area

33.747

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

1.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

D125-2165 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D125-2165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D125-2165?
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What is the minimum amount of D125-2165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D125-2165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D125-2165
  • 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 D125-2165 available by request