4052-3866 Screening compound: 5-{2-[3-(morpholine-4-sulfonyl)phenyl]hydrazin-1-ylidene}-1,3-diazinane-2,4,6-trione

4052-3866 Screening compound: 5-{2-[3-(morpholine-4-sulfonyl)phenyl]hydrazin-1-ylidene}-1,3-diazinane-2,4,6-trione
4052-3866 Screening compound: 5-{2-[3-(morpholine-4-sulfonyl)phenyl]hydrazin-1-ylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-3866
5-{2-[3-(morpholine-4-sulfonyl)phenyl]hydrazin-1-ylidene}-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

4052-3866

Molecular Formula

C14H15N5O6S (C14 H15 N5 O6 S)

Compound Name

5-{2-[3-(morpholine-4-sulfonyl)phenyl]hydrazin-1-ylidene}-1,3-diazinane-2,4,6-trione

IUPAC name

5-{2-[3-(morpholine-4-sulfonyl)phenyl]hydrazin-1-ylidene}-13-diazinane-246-trione

SMILES

O=C(C(C(N1)=O)=NNc2cccc(S(N3CCOCC3)(=O)=O)c2)NC1=O

InChI

InChI=1S/C14H15N5O6S/c20-12-11(13(21)16-14(22)15-12)18-17-9-2-1-3-10(8-9)26(23,24)19-4-6-25-7-5-19/h1-3,8,17H,4-7H2,(H2,15,16,20,21,22)

InChI Key

REZYGOSNEIMHFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02659203

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.37

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.066

Distribution Coefficient, logD

-0.203

Water Solubility, LogSw

-2.47

Polar Surface Area

122.238

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4052-3866 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4052-3866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-3866?
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What is the minimum amount of 4052-3866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-3866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-3866
  • 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 4052-3866 available by request