C356-0317 Screening compound: 4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

C356-0317 Screening compound: 4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate
C356-0317 Screening compound: 4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0317
4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

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

C356-0317

Molecular Formula

C18H12N4O6S2 (C18 H12 N4 O6 S2)

Compound Name

4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

IUPAC name

4-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

SMILES

CS(C(SC1=NC(/C2=C/c(cc3)ccc3OC(c3ccco3)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C18H12N4O6S2/c1-30(25,26)18-21-22-14(19)12(15(23)20-17(22)29-18)9-10-4-6-11(7-5-10)28-16(24)13-3-2-8-27-13/h2-9,19H,1H3

InChI Key

MMLUXKCFAFORGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.161

Distribution Coefficient, logD

1.066

Water Solubility, LogSw

-2.15

Polar Surface Area

113.507

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C356-0317 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C356-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0317?
Check Price and Availability of C356-0317, 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 C356-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0317
  • 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 C356-0317 available by request