8018-6748 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}-2-(morpholin-4-yl)ethane-1,2-dione

8018-6748 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}-2-(morpholin-4-yl)ethane-1,2-dione
8018-6748 Screening compound: 1-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}-2-(morpholin-4-yl)ethane-1,2-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6748
1-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}-2-(morpholin-4-yl)ethane-1,2-dione

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

8018-6748

Molecular Formula

C21H19FN2O3 (C21 H19 FN2 O3)

Compound Name

1-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}-2-(morpholin-4-yl)ethane-1,2-dione

IUPAC name

1-{1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}-2-(morpholin-4-yl)ethane-12-dione

SMILES

O=C(C(N1CCOCC1)=O)c1cn(Cc(cccc2)c2F)c2c1cccc2

InChI

InChI=1S/C21H19FN2O3/c22-18-7-3-1-5-15(18)13-24-14-17(16-6-2-4-8-19(16)24)20(25)21(26)23-9-11-27-12-10-23/h1-8,14H,9-13H2

InChI Key

PTCJKIRNKUDJOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05844317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.011

Distribution Coefficient, logD

3.011

Water Solubility, LogSw

-3.16

Polar Surface Area

40.266

Acid Dissociation Constant (pKa)

27.27

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8018-6748 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

PI3K-Targeted Library (17255 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-6748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6748?
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What is the minimum amount of 8018-6748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6748
  • 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 8018-6748 available by request