4244-0232 Screening compound: 2-(3-{[(5E)-1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N,N-diethylacetamide

4244-0232 Screening compound: 2-(3-{[(5E)-1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N,N-diethylacetamide
4244-0232 Screening compound: 2-(3-{[(5E)-1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4244-0232
2-(3-{[(5E)-1-(2,3-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)-N,N-diethylacetamide

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

4244-0232

Molecular Formula

C27H28N4O4 (C27 H28 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c3c(C)c(C)ccc3)=O)=O)/C2=O)c1)=O

InChI

InChI=1S/C27H28N4O4/c1-5-29(6-2)24(32)16-30-15-19(20-11-7-8-12-23(20)30)14-21-25(33)28-27(35)31(26(21)34)22-13-9-10-17(3)18(22)4/h7-15H,5-6,16H2,1-4H3,(H,28,33,35)

InChI Key

MSVYXJJSIWBUND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-3.28

Polar Surface Area

70.498

Acid Dissociation Constant (pKa)

7.15

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 4244-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4244-0232?
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What is the minimum amount of 4244-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4244-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4244-0232
  • 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 4244-0232 available by request