K786-8643 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

K786-8643 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
K786-8643 Screening compound: N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-8643
N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-1-(2-phenylethyl)pyrrolidine-3-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

K786-8643

Molecular Formula

C25H33N3O2 (C25 H33 N3 O2)

Compound Name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

IUPAC name

N-{3-[ethyl(3-methylphenyl)amino]propyl}-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide

SMILES

CCN(CCCNC(C(C1)CN(CCc2ccccc2)C1=O)=O)c1cc(C)ccc1

InChI

InChI=1S/C25H33N3O2/c1-3-27(23-12-7-9-20(2)17-23)15-8-14-26-25(30)22-18-24(29)28(19-22)16-13-21-10-5-4-6-11-21/h4-7,9-12,17,22H,3,8,13-16,18-19H2,1-2H3,(H,26,30)/t22-/m1/s1

InChI Key

ONZSMPABEHQMOI-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD15101960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.17

Polar Surface Area

44.657

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

K786-8643 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-8643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-8643?
Check Price and Availability of K786-8643, 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 K786-8643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-8643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-8643
  • 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 K786-8643 available by request