4631-0368 Screening compound: (5E)-5-({1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione

4631-0368 Screening compound: (5E)-5-({1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione
4631-0368 Screening compound: (5E)-5-({1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4631-0368
(5E)-5-({1-[2-(2-chlorophenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-[(furan-2-yl)methyl]-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

4631-0368

Molecular Formula

C26H20ClN3O5 (C26 H20 ClN3 O5)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/C(N1Cc2ccco2)=O)=C\c2cn(CCOc(cccc3)c3Cl)c3c2cccc3)NC1=O

InChI

InChI=1S/C26H20ClN3O5/c27-21-8-2-4-10-23(21)35-13-11-29-15-17(19-7-1-3-9-22(19)29)14-20-24(31)28-26(33)30(25(20)32)16-18-6-5-12-34-18/h1-10,12,14-15H,11,13,16H2,(H,28,31,33)

InChI Key

XQAYGQIAGUHECP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05028649

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.91

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.209

Distribution Coefficient, logD

4.117

Water Solubility, LogSw

-4.41

Polar Surface Area

70.966

Acid Dissociation Constant (pKa)

8.03

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

4631-0368 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4631-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4631-0368?
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What is the minimum amount of 4631-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4631-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4631-0368
  • 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 4631-0368 available by request