4590-0323 Screening compound: 5-({1-[(4-nitrophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

4590-0323 Screening compound: 5-({1-[(4-nitrophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
4590-0323 Screening compound: 5-({1-[(4-nitrophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4590-0323
5-({1-[(4-nitrophenyl)methyl]-1H-indol-3-yl}methylidene)-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

4590-0323

Molecular Formula

C20H14N4O5 (C20 H14 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1ccc(Cn2c(cccc3)c3c(C=C(C(NC(N3)=O)=O)C3=O)c2)cc1)=O

InChI

InChI=1S/C20H14N4O5/c25-18-16(19(26)22-20(27)21-18)9-13-11-23(17-4-2-1-3-15(13)17)10-12-5-7-14(8-6-12)24(28)29/h1-9,11H,10H2,(H2,21,22,25,26,27)

InChI Key

CKIOLMJDMPNSRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02316754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.319

Distribution Coefficient, logD

1.685

Water Solubility, LogSw

-2.76

Polar Surface Area

97.757

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

-3.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4590-0323 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 4590-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4590-0323?
Check Price and Availability of 4590-0323, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4590-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4590-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4590-0323
  • 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 4590-0323 available by request