K788-0087 Screening compound: 1-[(2-chlorophenyl)methyl]-5-oxo-N-(1-phenylethyl)pyrrolidine-2-carboxamide

K788-0087 Screening compound: 1-[(2-chlorophenyl)methyl]-5-oxo-N-(1-phenylethyl)pyrrolidine-2-carboxamide
K788-0087 Screening compound: 1-[(2-chlorophenyl)methyl]-5-oxo-N-(1-phenylethyl)pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0087
1-[(2-chlorophenyl)methyl]-5-oxo-N-(1-phenylethyl)pyrrolidine-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

K788-0087

Molecular Formula

C20H21ClN2O2 (C20 H21 ClN2 O2)

Compound Name

1-[(2-chlorophenyl)methyl]-5-oxo-N-(1-phenylethyl)pyrrolidine-2-carboxamide

IUPAC name

1-[(2-chlorophenyl)methyl]-5-oxo-N-(1-phenylethyl)pyrrolidine-2-carboxamide

SMILES

CC(c1ccccc1)NC(C(CC1)N(Cc(cccc2)c2Cl)C1=O)=O

InChI

InChI=1S/C20H21ClN2O2/c1-14(15-7-3-2-4-8-15)22-20(25)18-11-12-19(24)23(18)13-16-9-5-6-10-17(16)21/h2-10,14,18H,11-13H2,1H3,(H,22,25)

InChI Key

CCUXISQTOHEMKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.85

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

3.182

Distribution Coefficient, logD

3.182

Water Solubility, LogSw

-3.55

Polar Surface Area

40.591

Acid Dissociation Constant (pKa)

12.57

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

K788-0087 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Immune system
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K788-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0087?
Check Price and Availability of K788-0087, 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 K788-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0087
  • 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 K788-0087 available by request