SB13-0161 Screening compound: 1-(2-methylpropyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyridin-3-yl)piperidine-3-carboxamide

SB13-0161 Screening compound: 1-(2-methylpropyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyridin-3-yl)piperidine-3-carboxamide
SB13-0161 Screening compound: 1-(2-methylpropyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyridin-3-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB13-0161
1-(2-methylpropyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyridin-3-yl)piperidine-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

SB13-0161

Molecular Formula

C22H32N4O3 (C22 H32 N4 O3)

Compound Name

1-(2-methylpropyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyridin-3-yl)piperidine-3-carboxamide

IUPAC name

(2R3R)-1-(2-methylpropyl)-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(pyridin-3-yl)piperidine-3-carboxamide

SMILES

CC(C)CN([C@@H]([C@H](CC1)C(NCCCN(CCC2)C2=O)=O)c2cnccc2)C1=O

InChI

InChI=1S/C22H32N4O3/c1-16(2)15-26-20(28)9-8-18(21(26)17-6-3-10-23-14-17)22(29)24-11-5-13-25-12-4-7-19(25)27/h3,6,10,14,16,18,21H,4-5,7-9,11-13,15H2,1-2H3,(H,24,29)/t18-,21-/m1/s1

InChI Key

YMODFVGCTQTEOB-WIYYLYMNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.507

Distribution Coefficient, logD

0.507

Water Solubility, LogSw

-1.93

Polar Surface Area

67.757

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.64

SB13-0161 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with SB13-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB13-0161?
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What is the minimum amount of SB13-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB13-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB13-0161
  • 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 SB13-0161 available by request