Y080-0467 Screening compound: 4-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-methylpyrrolidin-2-one

Y080-0467 Screening compound: 4-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-methylpyrrolidin-2-one
Y080-0467 Screening compound: 4-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-methylpyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-0467
4-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-methylpyrrolidin-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

Y080-0467

Molecular Formula

C21H23N3O (C21 H23 N3 O)

Compound Name

4-{1-[(2,5-dimethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}-1-methylpyrrolidin-2-one

IUPAC name

4-{1-[(25-dimethylphenyl)methyl]-1H-13-benzodiazol-2-yl}-1-methylpyrrolidin-2-one

SMILES

Cc1cc(Cn2c(cccc3)c3nc2C(C2)CN(C)C2=O)c(C)cc1

InChI

InChI=1S/C21H23N3O/c1-14-8-9-15(2)16(10-14)13-24-19-7-5-4-6-18(19)22-21(24)17-11-20(25)23(3)12-17/h4-10,17H,11-13H2,1-3H3/t17-/m1/s1

InChI Key

NYVCYXJCLKBRKQ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD09360385

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.43

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.032

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.05

Polar Surface Area

27.078

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

5.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

Y080-0467 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y080-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-0467?
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What is the minimum amount of Y080-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-0467
  • 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 Y080-0467 available by request