SB01-0640 Screening compound: 2,3-dihydro-1H-inden-5-yl {1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl} sulfone

SB01-0640 Screening compound: 2,3-dihydro-1H-inden-5-yl {1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl} sulfone
SB01-0640 Screening compound: 2,3-dihydro-1H-inden-5-yl {1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl} sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0640
2,3-dihydro-1H-inden-5-yl {1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl} sulfone

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

SB01-0640

Molecular Formula

C22H24N4O3S (C22 H24 N4 O3 S)

Compound Name

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

IUPAC name

2-{[5-(23-dihydro-1H-indene-5-sulfonyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]methoxy}pyridine

SMILES

Cn1nc(COc2ncccc2)c(C2)c1CCN2S(c1cc(CCC2)c2cc1)(=O)=O

InChI

InChI=1S/C22H24N4O3S/c1-25-21-10-12-26(30(27,28)18-9-8-16-5-4-6-17(16)13-18)14-19(21)20(24-25)15-29-22-7-2-3-11-23-22/h2-3,7-9,11,13H,4-6,10,12,14-15H2,1H3

InChI Key

HPIDZTAAUVGEOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

3.178

Water Solubility, LogSw

-3.41

Polar Surface Area

63.587

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

SB01-0640 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB01-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0640?
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What is the minimum amount of SB01-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0640
  • 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 SB01-0640 available by request