K788-0583 Screening compound: N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide

K788-0583 Screening compound: N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide
K788-0583 Screening compound: N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0583
N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-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

K788-0583

Molecular Formula

C17H16Cl2N2O (C17 H16 Cl2 N2 O)

Compound Name

N-(3,4-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide

IUPAC name

N-(34-dichlorophenyl)-3-phenylpyrrolidine-1-carboxamide

SMILES

O=C(Nc(cc1)cc(Cl)c1Cl)N(CC1)CC1c1ccccc1

InChI

InChI=1S/C17H16Cl2N2O/c18-15-7-6-14(10-16(15)19)20-17(22)21-9-8-13(11-21)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11H2,(H,20,22)/t13-/m1/s1

InChI Key

MVZPGQMXAAHSIF-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03834198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.23

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.334

Water Solubility, LogSw

-6.09

Polar Surface Area

25.735

Acid Dissociation Constant (pKa)

9.88

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

K788-0583 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Cardiovascular Library (22201 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K788-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0583?
Check Price and Availability of K788-0583, 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 K788-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0583
  • 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 K788-0583 available by request