4299-0384 Screening compound: 2-[(3-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

4299-0384 Screening compound: 2-[(3-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile
4299-0384 Screening compound: 2-[(3-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4299-0384
2-[(3-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

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

4299-0384

Molecular Formula

C28H20N4O3 (C28 H20 N4 O3)

Compound Name

2-[(3-{[(5Z)-1-(4-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

IUPAC name

2-[(3-{[(5Z)-1-(4-methylphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}-1H-indol-1-yl)methyl]benzonitrile

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c2cn(Cc(cccc3)c3C#N)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C28H20N4O3/c1-18-10-12-22(13-11-18)32-27(34)24(26(33)30-28(32)35)14-21-17-31(25-9-5-4-8-23(21)25)16-20-7-3-2-6-19(20)15-29/h2-14,17H,16H2,1H3,(H,30,33,35)

InChI Key

HVKBIMUHRSMQJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02602591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.153

Distribution Coefficient, logD

3.582

Water Solubility, LogSw

-4.12

Polar Surface Area

72.179

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 4299-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4299-0384?
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What is the minimum amount of 4299-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4299-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4299-0384
  • 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 4299-0384 available by request