4373-2418 Screening compound: (3-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}-1H-indol-1-yl)methyl cyanide

4373-2418 Screening compound: (3-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}-1H-indol-1-yl)methyl cyanide
4373-2418 Screening compound: (3-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}-1H-indol-1-yl)methyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4373-2418
(3-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}-1H-indol-1-yl)methyl cyanide

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

4373-2418

Molecular Formula

C17H14N4O3 (C17 H14 N4 O3)

Compound Name

(3-{[1,3-dimethyl-2,4,6-trioxotetrahydro-5(2H)-pyrimidinyliden]methyl}-1H-indol-1-yl)methyl cyanide

IUPAC name

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

SMILES

CN(C(C(C(N1C)=O)=Cc2cn(CC#N)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C17H14N4O3/c1-19-15(22)13(16(23)20(2)17(19)24)9-11-10-21(8-7-18)14-6-4-3-5-12(11)14/h3-6,9-10H,8H2,1-2H3

InChI Key

SUARZUOPOCWFDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05025227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.292

Distribution Coefficient, logD

1.292

Water Solubility, LogSw

-1.90

Polar Surface Area

64.599

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

-6.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

4373-2418 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4373-2418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4373-2418?
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What is the minimum amount of 4373-2418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4373-2418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4373-2418
  • 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 4373-2418 available by request