3681-1225 Screening compound: 5-{[5-(BENZYLOXY)-1H-INDOL-3-YL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE

3681-1225 Screening compound: 5-{[5-(BENZYLOXY)-1H-INDOL-3-YL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE
3681-1225 Screening compound: 5-{[5-(BENZYLOXY)-1H-INDOL-3-YL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1225
5-{[5-(BENZYLOXY)-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

3681-1225

Molecular Formula

C20H15N3O4 (C20 H15 N3 O4)

Compound Name

5-{[5-(BENZYLOXY)-1H-INDOL-3-YL]METHYLIDENE}-1,3-DIAZINANE-2,4,6-TRIONE

IUPAC name

n/a

SMILES

O=C(C(C(N1)=O)=Cc2c[nH]c(cc3)c2cc3OCc2ccccc2)NC1=O

InChI

InChI=1S/C20H15N3O4/c24-18-16(19(25)23-20(26)22-18)8-13-10-21-17-7-6-14(9-15(13)17)27-11-12-4-2-1-3-5-12/h1-10,21H,11H2,(H2,22,23,24,25,26)

InChI Key

SHCXUGBTGURVFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02643742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.438

Distribution Coefficient, logD

1.804

Water Solubility, LogSw

-2.96

Polar Surface Area

79.741

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

-3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

2.00

3681-1225 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 3681-1225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1225?
Check Price and Availability of 3681-1225, 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 3681-1225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1225
  • 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 3681-1225 available by request