Y080-1112 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-benzylpyrrolidin-2-one

Y080-1112 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-benzylpyrrolidin-2-one
Y080-1112 Screening compound: 4-(1H-1,3-benzodiazol-2-yl)-1-benzylpyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y080-1112
4-(1H-1,3-benzodiazol-2-yl)-1-benzylpyrrolidin-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

Y080-1112

Molecular Formula

C18H17N3O (C18 H17 N3 O)

Compound Name

4-(1H-1,3-benzodiazol-2-yl)-1-benzylpyrrolidin-2-one

IUPAC name

4-(1H-13-benzodiazol-2-yl)-1-benzylpyrrolidin-2-one

SMILES

O=C(C1)N(Cc2ccccc2)CC1c1nc(cccc2)c2[nH]1

InChI

InChI=1S/C18H17N3O/c22-17-10-14(12-21(17)11-13-6-2-1-3-7-13)18-19-15-8-4-5-9-16(15)20-18/h1-9,14H,10-12H2,(H,19,20)/t14-/m1/s1

InChI Key

ZVMRDVATVAPMCL-CQSZACIVSA-N

MDL Number (MFCD)

MFCD04471790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.327

Distribution Coefficient, logD

2.327

Water Solubility, LogSw

-2.74

Polar Surface Area

36.454

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

Y080-1112 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y080-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y080-1112?
Check Price and Availability of Y080-1112, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y080-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y080-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y080-1112
  • 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 Y080-1112 available by request