K786-0111 Screening compound: N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

K786-0111 Screening compound: N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide
K786-0111 Screening compound: N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0111
N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

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

K786-0111

Molecular Formula

C22H35N3O5 (C22 H35 N3 O5)

Compound Name

N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(3,4,5-trimethoxyphenyl)formamido]propanamide

IUPAC name

N-[3-(2-methylpiperidin-1-yl)propyl]-3-[(345-trimethoxyphenyl)formamido]propanamide

SMILES

CC1N(CCCNC(CCNC(c(cc2OC)cc(OC)c2OC)=O)=O)CCCC1

InChI

InChI=1S/C22H35N3O5/c1-16-8-5-6-12-25(16)13-7-10-23-20(26)9-11-24-22(27)17-14-18(28-2)21(30-4)19(15-17)29-3/h14-16H,5-13H2,1-4H3,(H,23,26)(H,24,27)/t16-/m0/s1

InChI Key

SQXDINGGQNEVQW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD15099714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.857

Distribution Coefficient, logD

-2.049

Water Solubility, LogSw

-1.71

Polar Surface Area

75.217

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

10.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.60

K786-0111 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K786-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0111?
Check Price and Availability of K786-0111, 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 K786-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0111
  • 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 K786-0111 available by request