2144-0965 Screening compound: 5-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

2144-0965 Screening compound: 5-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
2144-0965 Screening compound: 5-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2144-0965
5-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

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

2144-0965

Molecular Formula

C22H18ClN3O3 (C22 H18 ClN3 O3)

Compound Name

5-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

IUPAC name

5-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}methylidene)-13-dimethyl-13-diazinane-246-trione

SMILES

CN(C(C(C(N1C)=O)=Cc2cn(Cc(cc3)ccc3Cl)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C22H18ClN3O3/c1-24-20(27)18(21(28)25(2)22(24)29)11-15-13-26(19-6-4-3-5-17(15)19)12-14-7-9-16(23)10-8-14/h3-11,13H,12H2,1-2H3

InChI Key

PMOZNIFLGDKLCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-4.28

Polar Surface Area

46.858

Acid Dissociation Constant (pKa)

26.80

Base Dissociation Constant (pKb)

-4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

2144-0965 in Drug Discovery

Included in Screening Libraries

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 2144-0965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2144-0965?
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What is the minimum amount of 2144-0965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2144-0965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2144-0965
  • 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 2144-0965 available by request