SB01-0402 Screening compound: [5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl (2-pyrazinyl) ether

SB01-0402 Screening compound: [5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl (2-pyrazinyl) ether
SB01-0402 Screening compound: [5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl (2-pyrazinyl) ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0402
[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl (2-pyrazinyl) ether

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

SB01-0402

Molecular Formula

C21H23N5O3 (C21 H23 N5 O3)

Compound Name

[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl (2-pyrazinyl) ether

IUPAC name

2-({5-[(23-dihydro-14-benzodioxin-6-yl)methyl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}methoxy)pyrazine

SMILES

Cn1nc(COc2nccnc2)c2c1CCN(Cc(cc1)cc3c1OCCO3)C2

InChI

InChI=1S/C21H23N5O3/c1-25-18-4-7-26(12-15-2-3-19-20(10-15)28-9-8-27-19)13-16(18)17(24-25)14-29-21-11-22-5-6-23-21/h2-3,5-6,10-11H,4,7-9,12-14H2,1H3

InChI Key

VJJHMULZRZXXOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244772

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.933

Distribution Coefficient, logD

-4.917

Water Solubility, LogSw

-1.06

Polar Surface Area

60.663

Acid Dissociation Constant (pKa)

22.58

Base Dissociation Constant (pKb)

13.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

SB01-0402 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB01-0402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0402?
Check Price and Availability of SB01-0402, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB01-0402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0402
  • 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 SB01-0402 available by request