6665-1051 Screening compound: 4-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylpyrrolidin-2-one

6665-1051 Screening compound: 4-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylpyrrolidin-2-one
6665-1051 Screening compound: 4-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylpyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6665-1051
4-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylpyrrolidin-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

6665-1051

Molecular Formula

C25H23N3O (C25 H23 N3 O)

Compound Name

4-{1-[(4-methylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-phenylpyrrolidin-2-one

IUPAC name

4-{1-[(4-methylphenyl)methyl]-1H-13-benzodiazol-2-yl}-1-phenylpyrrolidin-2-one

SMILES

Cc1ccc(Cn2c(cccc3)c3nc2C(CC2=O)CN2c2ccccc2)cc1

InChI

InChI=1S/C25H23N3O/c1-18-11-13-19(14-12-18)16-28-23-10-6-5-9-22(23)26-25(28)20-15-24(29)27(17-20)21-7-3-2-4-8-21/h2-14,20H,15-17H2,1H3/t20-/m1/s1

InChI Key

LECSKXCHCMEDJO-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD04148221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.025

Distribution Coefficient, logD

5.025

Water Solubility, LogSw

-4.61

Polar Surface Area

26.645

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

6665-1051 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 6665-1051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6665-1051?
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What is the minimum amount of 6665-1051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6665-1051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6665-1051
  • 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 6665-1051 available by request