8018-8561 Screening compound: 1-[(pyridin-4-yl)methyl]-1H-indole-3-carbaldehyde

8018-8561 Screening compound: 1-[(pyridin-4-yl)methyl]-1H-indole-3-carbaldehyde
8018-8561 Screening compound: 1-[(pyridin-4-yl)methyl]-1H-indole-3-carbaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8561
1-[(pyridin-4-yl)methyl]-1H-indole-3-carbaldehyde

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

8018-8561

Molecular Formula

C15H12N2O (C15 H12 N2 O)

Compound Name

1-[(pyridin-4-yl)methyl]-1H-indole-3-carbaldehyde

IUPAC name

1-[(pyridin-4-yl)methyl]-1H-indole-3-carbaldehyde

SMILES

O=Cc1cn(Cc2ccncc2)c2c1cccc2

InChI

InChI=1S/C15H12N2O/c18-11-13-10-17(9-12-5-7-16-8-6-12)15-4-2-1-3-14(13)15/h1-8,10-11H,9H2

InChI Key

IGEPBUMFBDKBME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08273453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.955

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-2.02

Polar Surface Area

25.558

Acid Dissociation Constant (pKa)

28.09

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8018-8561 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8018-8561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8561?
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What is the minimum amount of 8018-8561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8561
  • 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 8018-8561 available by request