3794-0023 Screening compound: 5-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

3794-0023 Screening compound: 5-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
3794-0023 Screening compound: 5-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3794-0023
5-({4-[(4-chlorophenyl)methoxy]phenyl}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

3794-0023

Molecular Formula

C18H13ClN2O4 (C18 H13 ClN2 O4)

Compound Name

5-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

IUPAC name

5-({4-[(4-chlorophenyl)methoxy]phenyl}methylidene)-13-diazinane-246-trione

SMILES

O=C(C(C(N1)=O)=Cc(cc2)ccc2OCc(cc2)ccc2Cl)NC1=O

InChI

InChI=1S/C18H13ClN2O4/c19-13-5-1-12(2-6-13)10-25-14-7-3-11(4-8-14)9-15-16(22)20-18(24)21-17(15)23/h1-9H,10H2,(H2,20,21,22,23,24)

InChI Key

LFDCTFOZNHPJED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00853019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.77

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.545

Water Solubility, LogSw

-3.79

Polar Surface Area

69.871

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3794-0023 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3794-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3794-0023?
Check Price and Availability of 3794-0023, 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 3794-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3794-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3794-0023
  • 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 3794-0023 available by request