S981-0586 Screening compound: N-{1-methyl-5-[2-(morpholin-4-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}benzamide

S981-0586 Screening compound: N-{1-methyl-5-[2-(morpholin-4-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}benzamide
S981-0586 Screening compound: N-{1-methyl-5-[2-(morpholin-4-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S981-0586
N-{1-methyl-5-[2-(morpholin-4-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}benzamide

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

S981-0586

Molecular Formula

C20H25N5O3 (C20 H25 N5 O3)

Compound Name

N-{1-methyl-5-[2-(morpholin-4-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}benzamide

IUPAC name

N-{1-methyl-5-[2-(morpholin-4-yl)acetyl]-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}benzamide

SMILES

Cn(c(CC1)c2CN1C(CN1CCOCC1)=O)nc2NC(c1ccccc1)=O

InChI

InChI=1S/C20H25N5O3/c1-23-17-7-8-25(18(26)14-24-9-11-28-12-10-24)13-16(17)19(22-23)21-20(27)15-5-3-2-4-6-15/h2-6H,7-14H2,1H3,(H,21,22,27)

InChI Key

UWSGITCOJYZXOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32232293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.041

Distribution Coefficient, logD

-0.436

Water Solubility, LogSw

-1.97

Polar Surface Area

65.912

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

4.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

S981-0586 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S981-0586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S981-0586?
Check Price and Availability of S981-0586, 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 S981-0586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S981-0586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S981-0586
  • 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 S981-0586 available by request