3448-1279 Screening compound: (5E)-1-(2-fluorophenyl)-5-[(1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

3448-1279 Screening compound: (5E)-1-(2-fluorophenyl)-5-[(1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
3448-1279 Screening compound: (5E)-1-(2-fluorophenyl)-5-[(1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-1279
(5E)-1-(2-fluorophenyl)-5-[(1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

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

3448-1279

Molecular Formula

C19H12FN3O3 (C19 H12 FN3 O3)

Compound Name

(5E)-1-(2-fluorophenyl)-5-[(1H-indol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(2-fluorophenyl)-5-[(1H-indol-3-yl)methylidene]-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1c(cccc2)c2F)=O)=C\c2c[nH]c3c2cccc3)NC1=O

InChI

InChI=1S/C19H12FN3O3/c20-14-6-2-4-8-16(14)23-18(25)13(17(24)22-19(23)26)9-11-10-21-15-7-3-1-5-12(11)15/h1-10,21H,(H,22,24,26)

InChI Key

BTXWOQBYISISBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01465415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.509

Distribution Coefficient, logD

1.156

Water Solubility, LogSw

-2.90

Polar Surface Area

62.961

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

3448-1279 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3448-1279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-1279?
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What is the minimum amount of 3448-1279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-1279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-1279
  • 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 3448-1279 available by request