SB01-0589 Screening compound: (5-methyl-2-pyrazinyl){1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone

SB01-0589 Screening compound: (5-methyl-2-pyrazinyl){1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone
SB01-0589 Screening compound: (5-methyl-2-pyrazinyl){1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB01-0589
(5-methyl-2-pyrazinyl){1-methyl-3-[(2-pyridyloxy)methyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}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

SB01-0589

Molecular Formula

C19H20N6O2 (C19 H20 N6 O2)

Compound Name

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

IUPAC name

2-methyl-5-{1-methyl-3-[(pyridin-2-yloxy)methyl]-1H4H5H6H7H-pyrazolo[43-c]pyridine-5-carbonyl}pyrazine

SMILES

Cc(nc1)cnc1C(N(CC1)Cc2c1n(C)nc2COc1ncccc1)=O

InChI

InChI=1S/C19H20N6O2/c1-13-9-22-15(10-21-13)19(26)25-8-6-17-14(11-25)16(23-24(17)2)12-27-18-5-3-4-7-20-18/h3-5,7,9-10H,6,8,11-12H2,1-2H3

InChI Key

GDJDMOFTUNLLKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32244420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.41

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

0.708

Distribution Coefficient, logD

0.708

Water Solubility, LogSw

-1.10

Polar Surface Area

66.319

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

SB01-0589 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 SB01-0589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB01-0589?
Check Price and Availability of SB01-0589, 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 SB01-0589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB01-0589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB01-0589
  • 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 SB01-0589 available by request