3572-6114 Screening compound: 5-{[4-(propan-2-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

3572-6114 Screening compound: 5-{[4-(propan-2-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
3572-6114 Screening compound: 5-{[4-(propan-2-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3572-6114
5-{[4-(propan-2-yl)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

3572-6114

Molecular Formula

C14H14N2O3 (C14 H14 N2 O3)

Compound Name

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

IUPAC name

5-{[4-(propan-2-yl)phenyl]methylidene}-13-diazinane-246-trione

SMILES

CC(C)c1ccc(C=C(C(NC(N2)=O)=O)C2=O)cc1

InChI

InChI=1S/C14H14N2O3/c1-8(2)10-5-3-9(4-6-10)7-11-12(17)15-14(19)16-13(11)18/h3-8H,1-2H3,(H2,15,16,17,18,19)

InChI Key

ODDJSBMNRIYRRZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00117933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.221

Distribution Coefficient, logD

1.874

Water Solubility, LogSw

-2.93

Polar Surface Area

62.643

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3572-6114 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 3572-6114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3572-6114?
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What is the minimum amount of 3572-6114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3572-6114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3572-6114
  • 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 3572-6114 available by request