F926-1868 Screening compound: 3-[3-({[2-(1-azepanyl)ethyl]amino}carbonyl)phenyl]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

F926-1868 Screening compound: 3-[3-({[2-(1-azepanyl)ethyl]amino}carbonyl)phenyl]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide
F926-1868 Screening compound: 3-[3-({[2-(1-azepanyl)ethyl]amino}carbonyl)phenyl]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F926-1868
3-[3-({[2-(1-azepanyl)ethyl]amino}carbonyl)phenyl]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

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

F926-1868

Molecular Formula

C22H34N4O2 (C22 H34 N4 O2)

Compound Name

3-[3-({[2-(1-azepanyl)ethyl]amino}carbonyl)phenyl]-N~1~-methyltetrahydro-1(2H)-pyridinecarboxamide

IUPAC name

3-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-N-methylpiperidine-1-carboxamide

SMILES

CNC(N(CCC1)CC1c1cc(C(NCCN2CCCCCC2)=O)ccc1)=O

InChI

InChI=1S/C22H34N4O2/c1-23-22(28)26-14-7-10-20(17-26)18-8-6-9-19(16-18)21(27)24-11-15-25-12-4-2-3-5-13-25/h6,8-9,16,20H,2-5,7,10-15,17H2,1H3,(H,23,28)(H,24,27)/t20-/m0/s1

InChI Key

KONSWTJGWAIRHF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27204804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.595

Distribution Coefficient, logD

1.618

Water Solubility, LogSw

-2.97

Polar Surface Area

55.682

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

8.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

F926-1868 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with F926-1868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F926-1868?
Check Price and Availability of F926-1868, 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 F926-1868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F926-1868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F926-1868
  • 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 F926-1868 available by request