4052-3916 Screening compound: 1,3-diethyl-5-{2-[3-(morpholine-4-sulfonyl)phenyl]hydrazin-1-ylidene}-1,3-diazinane-2,4,6-trione

4052-3916 Screening compound: 1,3-diethyl-5-{2-[3-(morpholine-4-sulfonyl)phenyl]hydrazin-1-ylidene}-1,3-diazinane-2,4,6-trione
4052-3916 Screening compound: 1,3-diethyl-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 4052-3916
1,3-diethyl-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

4052-3916

Molecular Formula

C18H23N5O6S (C18 H23 N5 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(C(C(N1CC)=O)=NNc2cccc(S(N3CCOCC3)(=O)=O)c2)=O)C1=O

InChI

InChI=1S/C18H23N5O6S/c1-3-22-16(24)15(17(25)23(4-2)18(22)26)20-19-13-6-5-7-14(12-13)30(27,28)21-8-10-29-11-9-21/h5-7,12,19H,3-4,8-11H2,1-2H3

InChI Key

JPJGBJKGGKBGPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02659243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.48

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.315

Distribution Coefficient, logD

1.010

Water Solubility, LogSw

-2.53

Polar Surface Area

104.638

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with 4052-3916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-3916?
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What is the minimum amount of 4052-3916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-3916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-3916
  • 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 4052-3916 available by request