K788-0090 Screening compound: N~2~-{2-[benzyl(isopropyl)amino]ethyl}-1-(2-chlorobenzyl)-5-oxo-2-pyrrolidinecarboxamide

K788-0090 Screening compound: N~2~-{2-[benzyl(isopropyl)amino]ethyl}-1-(2-chlorobenzyl)-5-oxo-2-pyrrolidinecarboxamide
K788-0090 Screening compound: N~2~-{2-[benzyl(isopropyl)amino]ethyl}-1-(2-chlorobenzyl)-5-oxo-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-0090
N~2~-{2-[benzyl(isopropyl)amino]ethyl}-1-(2-chlorobenzyl)-5-oxo-2-pyrrolidinecarboxamide

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

K788-0090

Molecular Formula

C24H30ClN3O2 (C24 H30 ClN3 O2)

Compound Name

N~2~-{2-[benzyl(isopropyl)amino]ethyl}-1-(2-chlorobenzyl)-5-oxo-2-pyrrolidinecarboxamide

IUPAC name

N-{2-[benzyl(propan-2-yl)amino]ethyl}-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide

SMILES

CC(C)N(CCNC(C(CC1)N(Cc(cccc2)c2Cl)C1=O)=O)Cc1ccccc1

InChI

InChI=1S/C24H30ClN3O2/c1-18(2)27(16-19-8-4-3-5-9-19)15-14-26-24(30)22-12-13-23(29)28(22)17-20-10-6-7-11-21(20)25/h3-11,18,22H,12-17H2,1-2H3,(H,26,30)/t22-/m0/s1

InChI Key

BVBUPUJNJNDVRH-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15102507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.519

Distribution Coefficient, logD

2.542

Water Solubility, LogSw

-3.73

Polar Surface Area

44.866

Acid Dissociation Constant (pKa)

13.38

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

K788-0090 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Immunological Library (6760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Immune system

References: we are preparing a list of scientific research reports with K788-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-0090?
Check Price and Availability of K788-0090, 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 K788-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-0090
  • 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 K788-0090 available by request