S981-0401 Screening compound: N-{5-[2-(benzyloxy)acetyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}cyclopropanecarboxamide

S981-0401 Screening compound: N-{5-[2-(benzyloxy)acetyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}cyclopropanecarboxamide
S981-0401 Screening compound: N-{5-[2-(benzyloxy)acetyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S981-0401
N-{5-[2-(benzyloxy)acetyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}cyclopropanecarboxamide

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

S981-0401

Molecular Formula

C20H24N4O3 (C20 H24 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(CC1)c2CN1C(COCc1ccccc1)=O)nc2NC(C1CC1)=O

InChI

InChI=1S/C20H24N4O3/c1-23-17-9-10-24(18(25)13-27-12-14-5-3-2-4-6-14)11-16(17)19(22-23)21-20(26)15-7-8-15/h2-6,15H,7-13H2,1H3,(H,21,22,26)

InChI Key

OGGNPJODSMLABX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32232192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.245

Distribution Coefficient, logD

1.225

Water Solubility, LogSw

-1.96

Polar Surface Area

62.957

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

S981-0401 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 S981-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S981-0401?
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What is the minimum amount of S981-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S981-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S981-0401
  • 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 S981-0401 available by request