3681-1177 Screening compound: 5-[(3-chloro-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

3681-1177 Screening compound: 5-[(3-chloro-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
3681-1177 Screening compound: 5-[(3-chloro-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3681-1177
5-[(3-chloro-4-methoxyphenyl)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

3681-1177

Molecular Formula

C12H9ClN2O4 (C12 H9 ClN2 O4)

Compound Name

5-[(3-chloro-4-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione

IUPAC name

5-[(3-chloro-4-methoxyphenyl)methylidene]-13-diazinane-246-trione

SMILES

COc(ccc(C=C(C(NC(N1)=O)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C12H9ClN2O4/c1-19-9-3-2-6(5-8(9)13)4-7-10(16)14-12(18)15-11(7)17/h2-5H,1H3,(H2,14,15,16,17,18)

InChI Key

AGCVXWHFVKPVQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02219081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.323

Distribution Coefficient, logD

0.975

Water Solubility, LogSw

-2.65

Polar Surface Area

70.274

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3681-1177 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3681-1177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3681-1177?
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What is the minimum amount of 3681-1177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3681-1177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3681-1177
  • 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 3681-1177 available by request