SB01-0791 Screening compound: {1-ethyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(1-phenylcyclopentyl)methanone

SB01-0791 Screening compound: {1-ethyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(1-phenylcyclopentyl)methanone
SB01-0791 Screening compound: {1-ethyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(1-phenylcyclopentyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0791
{1-ethyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(1-phenylcyclopentyl)methanone

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

SB01-0791

Molecular Formula

C26H30N4O2 (C26 H30 N4 O2)

Compound Name

{1-ethyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(1-phenylcyclopentyl)methanone

IUPAC name

2-{[1-ethyl-5-(1-phenylcyclopentanecarbonyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]methoxy}pyridine

SMILES

CCn1nc(COc2ncccc2)c(C2)c1CCN2C(C1(CCCC1)c1ccccc1)=O

InChI

InChI=1S/C26H30N4O2/c1-2-30-23-13-17-29(18-21(23)22(28-30)19-32-24-12-6-9-16-27-24)25(31)26(14-7-8-15-26)20-10-4-3-5-11-20/h3-6,9-12,16H,2,7-8,13-15,17-19H2,1H3

InChI Key

XITDNCOHUHNLMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.473

Distribution Coefficient, logD

3.473

Water Solubility, LogSw

-3.47

Polar Surface Area

47.963

Acid Dissociation Constant (pKa)

24.11

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.31

SB01-0791 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)

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 SB01-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0791?
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What is the minimum amount of SB01-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0791
  • 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 SB01-0791 available by request