3681-1194 Screening compound: 5-({3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl}methylidene)-1,3-diazinane-2,4,6-trione

3681-1194 Screening compound: 5-({3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl}methylidene)-1,3-diazinane-2,4,6-trione
3681-1194 Screening compound: 5-({3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1194
5-({3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl}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

3681-1194

Molecular Formula

C20H16BrClN2O5 (C20 H16 BrClN2 O5)

Compound Name

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

IUPAC name

5-({3-bromo-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl}methylidene)-13-diazinane-246-trione

SMILES

CCOc1cc(C=C(C(NC(N2)=O)=O)C2=O)cc(Br)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C20H16BrClN2O5/c1-2-28-16-9-12(7-14-18(25)23-20(27)24-19(14)26)8-15(21)17(16)29-10-11-3-5-13(22)6-4-11/h3-9H,2,10H2,1H3,(H2,23,24,25,26,27)

InChI Key

HFICYOGTGWURLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01443111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.71

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.848

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-4.48

Polar Surface Area

77.254

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

3681-1194 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3681-1194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1194?
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What is the minimum amount of 3681-1194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1194
  • 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 3681-1194 available by request