4478-8030 Screening compound: 5-{2-[4-(azepane-1-sulfonyl)phenyl]hydrazin-1-ylidene}-1,3-diazinane-2,4,6-trione

4478-8030 Screening compound: 5-{2-[4-(azepane-1-sulfonyl)phenyl]hydrazin-1-ylidene}-1,3-diazinane-2,4,6-trione
4478-8030 Screening compound: 5-{2-[4-(azepane-1-sulfonyl)phenyl]hydrazin-1-ylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-8030
5-{2-[4-(azepane-1-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

4478-8030

Molecular Formula

C16H19N5O5S (C16 H19 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(C(N1)=O)=NNc(cc2)ccc2S(N2CCCCCC2)(=O)=O)NC1=O

InChI

InChI=1S/C16H19N5O5S/c22-14-13(15(23)18-16(24)17-14)20-19-11-5-7-12(8-6-11)27(25,26)21-9-3-1-2-4-10-21/h5-8,19H,1-4,9-10H2,(H2,17,18,22,23,24)

InChI Key

VDHSXWZZOCFJML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01996271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.380

Distribution Coefficient, logD

1.110

Water Solubility, LogSw

-2.49

Polar Surface Area

114.660

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 4478-8030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-8030?
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What is the minimum amount of 4478-8030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-8030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-8030
  • 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 4478-8030 available by request