SB11-0698 Screening compound: 1-[(4-hydroxy-1-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]carbonyl}-4-piperidyl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide

SB11-0698 Screening compound: 1-[(4-hydroxy-1-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]carbonyl}-4-piperidyl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide
SB11-0698 Screening compound: 1-[(4-hydroxy-1-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]carbonyl}-4-piperidyl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB11-0698
1-[(4-hydroxy-1-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]carbonyl}-4-piperidyl)methyl]-N-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

SB11-0698

Molecular Formula

C20H30N6O4 (C20 H30 N6 O4)

Compound Name

1-[(4-hydroxy-1-{[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrol-3-yl]carbonyl}-4-piperidyl)methyl]-N-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-({4-hydroxy-1-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrole-3-carbonyl]piperidin-4-yl}methyl)-N-methyl-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(C(N(CC2)CCC2(Cn2nnc(C(NC)=O)c2)O)=O)c(C)n1CCOC

InChI

InChI=1S/C20H30N6O4/c1-14-11-16(15(2)26(14)9-10-30-4)19(28)24-7-5-20(29,6-8-24)13-25-12-17(22-23-25)18(27)21-3/h11-12,29H,5-10,13H2,1-4H3,(H,21,27)

InChI Key

RGJZNKGPZASLHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32246202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.867

Distribution Coefficient, logD

-0.867

Water Solubility, LogSw

-1.68

Polar Surface Area

94.322

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

SB11-0698 in Drug Discovery

Included in Screening Libraries

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

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 SB11-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB11-0698?
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What is the minimum amount of SB11-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB11-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB11-0698
  • 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 SB11-0698 available by request