S981-0561 Screening compound: N-[5-(2-cyclohexylacetyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

S981-0561 Screening compound: N-[5-(2-cyclohexylacetyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
S981-0561 Screening compound: N-[5-(2-cyclohexylacetyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S981-0561
N-[5-(2-cyclohexylacetyl)-1-methyl-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

S981-0561

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

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

IUPAC name

N-[5-(2-cyclohexylacetyl)-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl]benzamide

SMILES

Cn(c(CC1)c2CN1C(CC1CCCCC1)=O)nc2NC(c1ccccc1)=O

InChI

InChI=1S/C22H28N4O2/c1-25-19-12-13-26(20(27)14-16-8-4-2-5-9-16)15-18(19)21(24-25)23-22(28)17-10-6-3-7-11-17/h3,6-7,10-11,16H,2,4-5,8-9,12-15H2,1H3,(H,23,24,28)

InChI Key

IRLXTSHMNIWJOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32232247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.006

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-3.42

Polar Surface Area

54.192

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S981-0561 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S981-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S981-0561?
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What is the minimum amount of S981-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S981-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S981-0561
  • 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 S981-0561 available by request