3681-1190 Screening compound: 5-({5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione

3681-1190 Screening compound: 5-({5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione
3681-1190 Screening compound: 5-({5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1190
5-({5-bromo-2-[(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

3681-1190

Molecular Formula

C18H12BrClN2O4 (C18 H12 BrClN2 O4)

Compound Name

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

IUPAC name

5-({5-bromo-2-[(4-chlorophenyl)methoxy]phenyl}methylidene)-13-diazinane-246-trione

SMILES

O=C(C(C(N1)=O)=Cc(cc(cc2)Br)c2OCc(cc2)ccc2Cl)NC1=O

InChI

InChI=1S/C18H12BrClN2O4/c19-12-3-6-15(26-9-10-1-4-13(20)5-2-10)11(7-12)8-14-16(23)21-18(25)22-17(14)24/h1-8H,9H2,(H2,21,22,23,24,25)

InChI Key

OMLQLOPFHAOOJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01648359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.66

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

3.878

Distribution Coefficient, logD

3.672

Water Solubility, LogSw

-4.51

Polar Surface Area

69.957

Acid Dissociation Constant (pKa)

7.62

Base Dissociation Constant (pKb)

-7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 3681-1190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1190?
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What is the minimum amount of 3681-1190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1190
  • 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 3681-1190 available by request