SB01-0608 Screening compound: 1-{1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(1H-1,2,3,4-tetraazol-1-yl)-1-ethanone

SB01-0608 Screening compound: 1-{1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(1H-1,2,3,4-tetraazol-1-yl)-1-ethanone
SB01-0608 Screening compound: 1-{1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(1H-1,2,3,4-tetraazol-1-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0608
1-{1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-(1H-1,2,3,4-tetraazol-1-yl)-1-ethanone

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

SB01-0608

Molecular Formula

C16H18N8O2 (C16 H18 N8 O2)

Compound Name

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

IUPAC name

1-{1-methyl-3-[(pyridin-2-yloxy)methyl]-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}-2-(1H-1234-tetrazol-1-yl)ethan-1-one

SMILES

Cn1nc(COc2ncccc2)c(C2)c1CCN2C(Cn1nnnc1)=O

InChI

InChI=1S/C16H18N8O2/c1-22-14-5-7-23(16(25)9-24-11-18-20-21-24)8-12(14)13(19-22)10-26-15-4-2-3-6-17-15/h2-4,6,11H,5,7-10H2,1H3

InChI Key

TYNKBJWJOYLFBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.258

Distribution Coefficient, logD

-0.258

Water Solubility, LogSw

-1.15

Polar Surface Area

87.895

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

SB01-0608 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 SB01-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0608?
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What is the minimum amount of SB01-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0608
  • 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 SB01-0608 available by request