Y044-6897 Screening compound: 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide

Y044-6897 Screening compound: 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide
Y044-6897 Screening compound: 1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-6897
1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide

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

Y044-6897

Molecular Formula

C18H24N4O (C18 H24 N4 O)

Compound Name

1-methyl-N-[(1S,5S)-9-methyl-9-azabicyclo[3.3.1]non-3-yl]-1H-indazole-3-carboxamide

IUPAC name

1-methyl-N-[(1S5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl]-1H-indazole-3-carboxamide

SMILES

Cn1nc(C(NC2C[C@H](CCC3)N(C)[C@@H]3C2)=O)c2c1cccc2

InChI

InChI=1S/C18H24N4O/c1-21-13-6-5-7-14(21)11-12(10-13)19-18(23)17-15-8-3-4-9-16(15)22(2)20-17/h3-4,8-9,12-14H,5-7,10-11H2,1-2H3,(H,19,23)/t12?,13-,14+

InChI Key

MFWNKCLOYSRHCJ-AGUYFDCRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

312.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.823

Distribution Coefficient, logD

-0.755

Water Solubility, LogSw

-2.27

Polar Surface Area

41.328

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

9.98

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

Y044-6897 in Drug Discovery

Included in Screening Libraries

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

CNS Annotated Library (688 compounds)

CNS Targets (44014 compounds)

Human Ion Channels Annotated Library (353 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y044-6897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-6897?
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What is the minimum amount of Y044-6897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-6897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-6897
  • 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 Y044-6897 available by request