8004-9173 Screening compound: 1-methyl-2-[(morpholin-4-yl)methyl]-1H-indole-3-carbonitrile

8004-9173 Screening compound: 1-methyl-2-[(morpholin-4-yl)methyl]-1H-indole-3-carbonitrile
8004-9173 Screening compound: 1-methyl-2-[(morpholin-4-yl)methyl]-1H-indole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-9173
1-methyl-2-[(morpholin-4-yl)methyl]-1H-indole-3-carbonitrile

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

8004-9173

Molecular Formula

C15H17N3O (C15 H17 N3 O)

Compound Name

1-methyl-2-[(morpholin-4-yl)methyl]-1H-indole-3-carbonitrile

IUPAC name

1-methyl-2-[(morpholin-4-yl)methyl]-1H-indole-3-carbonitrile

SMILES

Cn1c(cccc2)c2c(C#N)c1CN1CCOCC1

InChI

InChI=1S/C15H17N3O/c1-17-14-5-3-2-4-12(14)13(10-16)15(17)11-18-6-8-19-9-7-18/h2-5H,6-9,11H2,1H3

InChI Key

DXCUIWONFGQEOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00746874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

255.32

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.455

Distribution Coefficient, logD

1.449

Water Solubility, LogSw

-1.90

Polar Surface Area

30.728

Acid Dissociation Constant (pKa)

28.81

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8004-9173 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Fragment Library (4274 compounds)

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

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8004-9173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-9173?
Check Price and Availability of 8004-9173, 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 8004-9173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-9173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-9173
  • 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 8004-9173 available by request