SB01-0976 Screening compound: (1-ethyl-3-{[(4-methyl-2-pyridyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)(2-thienyl)methanone

SB01-0976 Screening compound: (1-ethyl-3-{[(4-methyl-2-pyridyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)(2-thienyl)methanone
SB01-0976 Screening compound: (1-ethyl-3-{[(4-methyl-2-pyridyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)(2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0976
(1-ethyl-3-{[(4-methyl-2-pyridyl)oxy]methyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)(2-thienyl)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

SB01-0976

Molecular Formula

C20H22N4O2S (C20 H22 N4 O2 S)

Compound Name

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

IUPAC name

2-{[1-ethyl-5-(thiophene-2-carbonyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]methoxy}-4-methylpyridine

SMILES

CCn1nc(COc2nccc(C)c2)c(C2)c1CCN2C(c1cccs1)=O

InChI

InChI=1S/C20H22N4O2S/c1-3-24-17-7-9-23(20(25)18-5-4-10-27-18)12-15(17)16(22-24)13-26-19-11-14(2)6-8-21-19/h4-6,8,10-11H,3,7,9,12-13H2,1-2H3

InChI Key

BJBMWVQDOLRFOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32245256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.708

Distribution Coefficient, logD

2.708

Water Solubility, LogSw

-2.65

Polar Surface Area

48.695

Acid Dissociation Constant (pKa)

22.78

Base Dissociation Constant (pKb)

4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

SB01-0976 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 SB01-0976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0976?
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What is the minimum amount of SB01-0976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0976
  • 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 SB01-0976 available by request