8003-2304 Screening compound: ethyl 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzoate

8003-2304 Screening compound: ethyl 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzoate
8003-2304 Screening compound: ethyl 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-2304
ethyl 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzoate

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

8003-2304

Molecular Formula

C13H12N4O4S (C13 H12 N4 O4 S)

Compound Name

ethyl 4-[2-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)hydrazin-1-yl]benzoate

IUPAC name

ethyl 4-[2-(46-dioxo-2-sulfanylidene-13-diazinan-5-ylidene)hydrazin-1-yl]benzoate

SMILES

CCOC(c(cc1)ccc1NN=C(C(NC(N1)=S)=O)C1=O)=O

InChI

InChI=1S/C13H12N4O4S/c1-2-21-12(20)7-3-5-8(6-4-7)16-17-9-10(18)14-13(22)15-11(9)19/h3-6,16H,2H2,1H3,(H2,14,15,18,19,22)

InChI Key

QFMXDCRJVYJMGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00743208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

2.148

Water Solubility, LogSw

-2.83

Polar Surface Area

90.354

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 8003-2304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-2304?
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What is the minimum amount of 8003-2304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-2304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-2304
  • 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 8003-2304 available by request