SB11-0037 Screening compound: 1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

SB11-0037 Screening compound: 1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
SB11-0037 Screening compound: 1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB11-0037
1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-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

SB11-0037

Molecular Formula

C23H26ClN5O2 (C23 H26 ClN5 O2)

Compound Name

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

IUPAC name

1-[(1-benzyl-4-hydroxypiperidin-4-yl)methyl]-N-[(2-chlorophenyl)methyl]-1H-123-triazole-4-carboxamide

SMILES

OC1(Cn2nnc(C(NCc(cccc3)c3Cl)=O)c2)CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H26ClN5O2/c24-20-9-5-4-8-19(20)14-25-22(30)21-16-29(27-26-21)17-23(31)10-12-28(13-11-23)15-18-6-2-1-3-7-18/h1-9,16,31H,10-15,17H2,(H,25,30)

InChI Key

UOCSNVBLYIPDRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32245479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.764

Distribution Coefficient, logD

1.453

Water Solubility, LogSw

-3.15

Polar Surface Area

70.471

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

8.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

SB11-0037 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB11-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB11-0037?
Check Price and Availability of SB11-0037, 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 SB11-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB11-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB11-0037
  • 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 SB11-0037 available by request