4244-0229 Screening compound: 2-(3-{[(5E)-1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide

4244-0229 Screening compound: 2-(3-{[(5E)-1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide
4244-0229 Screening compound: 2-(3-{[(5E)-1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-0229
2-(3-{[(5E)-1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-[(oxolan-2-yl)methyl]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

4244-0229

Molecular Formula

C28H28N4O5 (C28 H28 N4 O5)

Compound Name

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

IUPAC name

2-(3-{[(5E)-1-(23-dimethylphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N-[(oxolan-2-yl)methyl]acetamide

SMILES

Cc1cccc(N(C(/C(/C(N2)=O)=C/c3cn(CC(NCC4OCCC4)=O)c4c3cccc4)=O)C2=O)c1C

InChI

InChI=1S/C28H28N4O5/c1-17-7-5-11-23(18(17)2)32-27(35)22(26(34)30-28(32)36)13-19-15-31(24-10-4-3-9-21(19)24)16-25(33)29-14-20-8-6-12-37-20/h3-5,7,9-11,13,15,20H,6,8,12,14,16H2,1-2H3,(H,29,33)(H,30,34,36)/t20-/m1/s1

InChI Key

AWCACUCUBZQGLB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14709574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.535

Distribution Coefficient, logD

2.089

Water Solubility, LogSw

-2.60

Polar Surface Area

87.948

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 4244-0229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-0229?
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What is the minimum amount of 4244-0229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-0229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-0229
  • 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 4244-0229 available by request