4212-4249 Screening compound: 1,3-dimethyl-5-{[5-nitro-2-(piperidin-1-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione

4212-4249 Screening compound: 1,3-dimethyl-5-{[5-nitro-2-(piperidin-1-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione
4212-4249 Screening compound: 1,3-dimethyl-5-{[5-nitro-2-(piperidin-1-yl)phenyl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4212-4249
1,3-dimethyl-5-{[5-nitro-2-(piperidin-1-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

4212-4249

Molecular Formula

C18H20N4O5 (C18 H20 N4 O5)

Compound Name

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

IUPAC name

13-dimethyl-5-{[5-nitro-2-(piperidin-1-yl)phenyl]methylidene}-13-diazinane-246-trione

SMILES

CN(C(C(C(N1C)=O)=Cc(cc(cc2)[N+]([O-])=O)c2N2CCCCC2)=O)C1=O

InChI

InChI=1S/C18H20N4O5/c1-19-16(23)14(17(24)20(2)18(19)25)11-12-10-13(22(26)27)6-7-15(12)21-8-4-3-5-9-21/h6-7,10-11H,3-5,8-9H2,1-2H3

InChI Key

XARTUFSOIFDZOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-3.19

Polar Surface Area

81.659

Acid Dissociation Constant (pKa)

27.56

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

4212-4249 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4212-4249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4212-4249?
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What is the minimum amount of 4212-4249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4212-4249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4212-4249
  • 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 4212-4249 available by request