4891-2126 Screening compound: 5-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

4891-2126 Screening compound: 5-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
4891-2126 Screening compound: 5-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4891-2126
5-({1-[2-(3-methoxyphenoxy)ethyl]-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

4891-2126

Molecular Formula

C22H19N3O5 (C22 H19 N3 O5)

Compound Name

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

IUPAC name

5-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-13-diazinane-246-trione

SMILES

COc1cccc(OCCn2c(cccc3)c3c(C=C(C(NC(N3)=O)=O)C3=O)c2)c1

InChI

InChI=1S/C22H19N3O5/c1-29-15-5-4-6-16(12-15)30-10-9-25-13-14(17-7-2-3-8-19(17)25)11-18-20(26)23-22(28)24-21(18)27/h2-8,11-13H,9-10H2,1H3,(H2,23,24,26,27,28)

InChI Key

AQBGKGRDUABXNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

2.013

Water Solubility, LogSw

-3.13

Polar Surface Area

79.315

Acid Dissociation Constant (pKa)

6.88

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4891-2126 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4891-2126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4891-2126?
Check Price and Availability of 4891-2126, 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 4891-2126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4891-2126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4891-2126
  • 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 4891-2126 available by request