3856-0295 Screening compound: N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

3856-0295 Screening compound: N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide
3856-0295 Screening compound: N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3856-0295
N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

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

3856-0295

Molecular Formula

C12H14N2O2 (C12 H14 N2 O2)

Compound Name

N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

IUPAC name

N-(2-methylphenyl)-5-oxopyrrolidine-2-carboxamide

SMILES

Cc(cccc1)c1NC(C(CC1)NC1=O)=O

InChI

InChI=1S/C12H14N2O2/c1-8-4-2-3-5-9(8)14-12(16)10-6-7-11(15)13-10/h2-5,10H,6-7H2,1H3,(H,13,15)(H,14,16)/t10-/m1/s1

InChI Key

QDSSBKISDUDIEU-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD00852350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.26

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.043

Distribution Coefficient, logD

1.043

Water Solubility, LogSw

-1.89

Polar Surface Area

48.644

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

3856-0295 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

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

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 3856-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3856-0295?
Check Price and Availability of 3856-0295, 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 3856-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3856-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3856-0295
  • 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 3856-0295 available by request