4760-0398 Screening compound: 2-(3-{[(5E)-1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile

4760-0398 Screening compound: 2-(3-{[(5E)-1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile
4760-0398 Screening compound: 2-(3-{[(5E)-1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4760-0398
2-(3-{[(5E)-1-(3,5-dimethylphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile

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

4760-0398

Molecular Formula

C23H18N4O3 (C23 H18 N4 O3)

Compound Name

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

IUPAC name

2-(3-{[(5E)-1-(35-dimethylphenyl)-246-trioxo-13-diazinan-5-ylidene]methyl}-1H-indol-1-yl)acetonitrile

SMILES

Cc1cc(N(C(/C(/C(N2)=O)=C/c3cn(CC#N)c4c3cccc4)=O)C2=O)cc(C)c1

InChI

InChI=1S/C23H18N4O3/c1-14-9-15(2)11-17(10-14)27-22(29)19(21(28)25-23(27)30)12-16-13-26(8-7-24)20-6-4-3-5-18(16)20/h3-6,9-13H,8H2,1-2H3,(H,25,28,30)

InChI Key

FAPGHHDNEAPLKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03062427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.977

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.18

Polar Surface Area

72.865

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

-5.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with 4760-0398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4760-0398?
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What is the minimum amount of 4760-0398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4760-0398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4760-0398
  • 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 4760-0398 available by request