4244-0184 Screening compound: 2-(3-{[(5E)-1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-(2-methoxyethyl)acetamide

4244-0184 Screening compound: 2-(3-{[(5E)-1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-(2-methoxyethyl)acetamide
4244-0184 Screening compound: 2-(3-{[(5E)-1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-(2-methoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-0184
2-(3-{[(5E)-1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-(2-methoxyethyl)acetamide

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

4244-0184

Molecular Formula

C24H21FN4O5 (C24 H21 FN4 O5)

Compound Name

2-(3-{[(5E)-1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-(2-methoxyethyl)acetamide

IUPAC name

2-(3-{[(5E)-1-(2-fluorophenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-(2-methoxyethyl)acetamide

SMILES

COCCNC(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c(cccc3)c3F)=O)=O)/C2=O)c1)=O

InChI

InChI=1S/C24H21FN4O5/c1-34-11-10-26-21(30)14-28-13-15(16-6-2-4-8-19(16)28)12-17-22(31)27-24(33)29(23(17)32)20-9-5-3-7-18(20)25/h2-9,12-13H,10-11,14H2,1H3,(H,26,30)(H,27,31,33)

InChI Key

FCMWHUORSXJOFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.493

Distribution Coefficient, logD

0.139

Water Solubility, LogSw

-2.28

Polar Surface Area

87.749

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4244-0184 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4244-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-0184?
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What is the minimum amount of 4244-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-0184
  • 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 4244-0184 available by request