K786-3841 Screening compound: N-cyclooctyl-1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

K786-3841 Screening compound: N-cyclooctyl-1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
K786-3841 Screening compound: N-cyclooctyl-1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3841
N-cyclooctyl-1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-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

K786-3841

Molecular Formula

C26H40N2O4 (C26 H40 N2 O4)

Compound Name

N-cyclooctyl-1-[2-(3,4-diethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

IUPAC name

N-cyclooctyl-1-[2-(34-diethoxyphenyl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

SMILES

CCOc(ccc(CCN(C(C)(CC1)C(NC2CCCCCCC2)=O)C1=O)c1)c1OCC

InChI

InChI=1S/C26H40N2O4/c1-4-31-22-14-13-20(19-23(22)32-5-2)16-18-28-24(29)15-17-26(28,3)25(30)27-21-11-9-7-6-8-10-12-21/h13-14,19,21H,4-12,15-18H2,1-3H3,(H,27,30)/t26-/m0/s1

InChI Key

OKKCPCLQKOPKNU-SANMLTNESA-N

MDL Number (MFCD)

MFCD15100944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-4.19

Polar Surface Area

55.717

Acid Dissociation Constant (pKa)

14.15

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

69.20

K786-3841 in Drug Discovery

Included in Screening Libraries

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

Cyclic Ugi PPI Library (9586 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-3841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3841?
Check Price and Availability of K786-3841, 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 K786-3841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3841
  • 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 K786-3841 available by request