8009-2517 Screening compound: 4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid

8009-2517 Screening compound: 4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid
8009-2517 Screening compound: 4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2517
4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid

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

8009-2517

Molecular Formula

C10H8N4O6S (C10 H8 N4 O6 S)

Compound Name

4-[2-(2,4,6-trioxo-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid

IUPAC name

4-[2-(246-trioxo-13-diazinan-5-ylidene)hydrazin-1-yl]benzene-1-sulfonic acid

SMILES

OS(c(cc1)ccc1NN=C(C(NC(N1)=O)=O)C1=O)(=O)=O

InChI

InChI=1S/C10H8N4O6S/c15-8-7(9(16)12-10(17)11-8)14-13-5-1-3-6(4-2-5)21(18,19)20/h1-4,13H,(H,18,19,20)(H2,11,12,15,16,17)

InChI Key

YWQWCJYMMQJOLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00575928

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.26

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-2.363

Distribution Coefficient, logD

-16.063

Water Solubility, LogSw

-2.17

Polar Surface Area

125.032

Acid Dissociation Constant (pKa)

-6.30

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8009-2517 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-2517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2517?
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What is the minimum amount of 8009-2517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2517
  • 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 8009-2517 available by request