K788-4035 Screening compound: N-[2-(3-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

K788-4035 Screening compound: N-[2-(3-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
K788-4035 Screening compound: N-[2-(3-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4035
N-[2-(3-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

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

K788-4035

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

N-[2-(3-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

IUPAC name

N-[2-(3-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

SMILES

Cc1cccc(CCNC(c2cccc(N(CCC3)C3=O)c2)=O)c1

InChI

InChI=1S/C20H22N2O2/c1-15-5-2-6-16(13-15)10-11-21-20(24)17-7-3-8-18(14-17)22-12-4-9-19(22)23/h2-3,5-8,13-14H,4,9-12H2,1H3,(H,21,24)

InChI Key

KQURJWULTAYJBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15046892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.087

Distribution Coefficient, logD

3.087

Water Solubility, LogSw

-3.27

Polar Surface Area

41.310

Acid Dissociation Constant (pKa)

13.74

Base Dissociation Constant (pKb)

-1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K788-4035 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with K788-4035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4035?
Check Price and Availability of K788-4035, 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 K788-4035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4035
  • 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 K788-4035 available by request