SB01-0314 Screening compound: 2-({5-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methoxy)-6-methylpyridine

SB01-0314 Screening compound: 2-({5-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methoxy)-6-methylpyridine
SB01-0314 Screening compound: 2-({5-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methoxy)-6-methylpyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0314
2-({5-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methoxy)-6-methylpyridine

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

SB01-0314

Molecular Formula

C24H31N5O3 (C24 H31 N5 O3)

Compound Name

2-({5-[1-(2-methoxyethyl)-2,5-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methoxy)-6-methylpyridine

IUPAC name

2-({5-[1-(2-methoxyethyl)-25-dimethyl-1H-pyrrole-3-carbonyl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}methoxy)-6-methylpyridine

SMILES

Cc1cc(C(N(CC2)Cc3c2n(C)nc3COc2nc(C)ccc2)=O)c(C)n1CCOC

InChI

InChI=1S/C24H31N5O3/c1-16-7-6-8-23(25-16)32-15-21-20-14-28(10-9-22(20)27(4)26-21)24(30)19-13-17(2)29(18(19)3)11-12-31-5/h6-8,13H,9-12,14-15H2,1-5H3

InChI Key

BFNUMXWHERQMFW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.914

Distribution Coefficient, logD

1.914

Water Solubility, LogSw

-2.64

Polar Surface Area

58.126

Acid Dissociation Constant (pKa)

21.89

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.83

SB01-0314 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 SB01-0314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0314?
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What is the minimum amount of SB01-0314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0314
  • 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 SB01-0314 available by request