SB13-0413 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

SB13-0413 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide
SB13-0413 Screening compound: N-{3-[cyclohexyl(methyl)amino]propyl}-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB13-0413
N-{3-[cyclohexyl(methyl)amino]propyl}-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-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

SB13-0413

Molecular Formula

C25H38FN3O3 (C25 H38 FN3 O3)

Compound Name

N-{3-[cyclohexyl(methyl)amino]propyl}-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

IUPAC name

(2R3R)-N-{3-[cyclohexyl(methyl)amino]propyl}-2-(4-fluorophenyl)-1-(2-methoxyethyl)-6-oxopiperidine-3-carboxamide

SMILES

CN(CCCNC([C@@H](CC1)[C@@H](c(cc2)ccc2F)N(CCOC)C1=O)=O)C1CCCCC1

InChI

InChI=1S/C25H38FN3O3/c1-28(21-7-4-3-5-8-21)16-6-15-27-25(31)22-13-14-23(30)29(17-18-32-2)24(22)19-9-11-20(26)12-10-19/h9-12,21-22,24H,3-8,13-18H2,1-2H3,(H,27,31)/t22-,24+/m0/s1

InChI Key

IHCXQAJVZMGEDW-LADGPHEKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.643

Distribution Coefficient, logD

0.060

Water Solubility, LogSw

-3.38

Polar Surface Area

52.085

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

68.00

SB13-0413 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB13-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB13-0413?
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What is the minimum amount of SB13-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB13-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB13-0413
  • 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 SB13-0413 available by request