3537-5306 Screening compound: 2-{[(6Z)-2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate

3537-5306 Screening compound: 2-{[(6Z)-2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate
3537-5306 Screening compound: 2-{[(6Z)-2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3537-5306
2-{[(6Z)-2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate

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

3537-5306

Molecular Formula

C20H16N4O4S2 (C20 H16 N4 O4 S2)

Compound Name

2-{[(6Z)-2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate

IUPAC name

2-{[(6Z)-2-ethyl-5-imino-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenyl benzenesulfonate

SMILES

CCC(SC1=NC(/C2=C\c(cccc3)c3OS(c3ccccc3)(=O)=O)=O)=NN1C2=N

InChI

InChI=1S/C20H16N4O4S2/c1-2-17-23-24-18(21)15(19(25)22-20(24)29-17)12-13-8-6-7-11-16(13)28-30(26,27)14-9-4-3-5-10-14/h3-12,21H,2H2,1H3

InChI Key

KDMOCVWQKJBWIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.928

Distribution Coefficient, logD

1.572

Water Solubility, LogSw

-3.58

Polar Surface Area

90.771

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

8.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 3537-5306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3537-5306?
Check Price and Availability of 3537-5306, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3537-5306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3537-5306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3537-5306
  • 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 3537-5306 available by request