4373-1444 Screening compound: 2-({3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile

4373-1444 Screening compound: 2-({3-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]-1H-indol-1-yl}methyl)benzonitrile
4373-1444 Screening compound: 2-({3-[(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 4373-1444
2-({3-[(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

4373-1444

Molecular Formula

C21H14N4O3 (C21 H14 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

N#Cc1c(Cn2c(cccc3)c3c(C=C(C(NC(N3)=O)=O)C3=O)c2)cccc1

InChI

InChI=1S/C21H14N4O3/c22-10-13-5-1-2-6-14(13)11-25-12-15(16-7-3-4-8-18(16)25)9-17-19(26)23-21(28)24-20(17)27/h1-9,12H,11H2,(H2,23,24,26,27,28)

InChI Key

JCVXPEQABLUGFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02232677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.223

Distribution Coefficient, logD

1.589

Water Solubility, LogSw

-2.95

Polar Surface Area

81.431

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

-4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 4373-1444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4373-1444?
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What is the minimum amount of 4373-1444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4373-1444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4373-1444
  • 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 4373-1444 available by request