4244-0187 Screening compound: 2-(3-{[(5E)-1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-(3-methoxypropyl)acetamide

4244-0187 Screening compound: 2-(3-{[(5E)-1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-(3-methoxypropyl)acetamide
4244-0187 Screening compound: 2-(3-{[(5E)-1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-(3-methoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-0187
2-(3-{[(5E)-1-(2-fluorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-(3-methoxypropyl)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

4244-0187

Molecular Formula

C25H23FN4O5 (C25 H23 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-(3-methoxypropyl)acetamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H23FN4O5/c1-35-12-6-11-27-22(31)15-29-14-16(17-7-2-4-9-20(17)29)13-18-23(32)28-25(34)30(24(18)33)21-10-5-3-8-19(21)26/h2-5,7-10,13-14H,6,11-12,15H2,1H3,(H,27,31)(H,28,32,34)

InChI Key

VSDVYDUKJVIAAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.692

Distribution Coefficient, logD

0.338

Water Solubility, LogSw

-2.32

Polar Surface Area

87.749

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4244-0187 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 4244-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4244-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-0187
  • 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 4244-0187 available by request