SB11-0002 Screening compound: 1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-1H-1,2,3-triazole-4-carboxamide

SB11-0002 Screening compound: 1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-1H-1,2,3-triazole-4-carboxamide
SB11-0002 Screening compound: 1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB11-0002
1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-1H-1,2,3-triazole-4-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

SB11-0002

Molecular Formula

C23H34N6O3 (C23 H34 N6 O3)

Compound Name

1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[3-(morpholin-4-yl)propyl]-1H-123-triazole-4-carboxamide

SMILES

OC1(Cn2nnc(C(NCCCN3CCOCC3)=O)c2)CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H34N6O3/c30-22(24-9-4-10-27-13-15-32-16-14-27)21-18-29(26-25-21)19-23(31)7-11-28(12-8-23)17-20-5-2-1-3-6-20/h1-3,5-6,18,31H,4,7-17,19H2,(H,24,30)

InChI Key

SHPUZFZQPLTKOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32246617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.177

Distribution Coefficient, logD

-1.134

Water Solubility, LogSw

-1.62

Polar Surface Area

82.203

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.87

SB11-0002 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 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 SB11-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB11-0002?
Check Price and Availability of SB11-0002, 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 SB11-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB11-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB11-0002
  • 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 SB11-0002 available by request