C354-0935 Screening compound: 2-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate

C354-0935 Screening compound: 2-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate
C354-0935 Screening compound: 2-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C354-0935
2-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate

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

C354-0935

Molecular Formula

C17H18N4O5S3 (C17 H18 N4 O5 S3)

Compound Name

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

IUPAC name

2-ethoxy-4-{[(6Z)-3-(ethylsulfanyl)-5-imino-7-oxo-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate

SMILES

CCOc(cc(/C=C(/C(N(C(SCC)=NS1)C1=N1)=N)\C1=O)cc1)c1OS(C)(=O)=O

InChI

InChI=1S/C17H18N4O5S3/c1-4-25-13-9-10(6-7-12(13)26-29(3,23)24)8-11-14(18)21-16(19-15(11)22)28-20-17(21)27-5-2/h6-9,18H,4-5H2,1-3H3

InChI Key

BUKNLDZWLOQKCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.782

Distribution Coefficient, logD

1.759

Water Solubility, LogSw

-2.66

Polar Surface Area

95.914

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with C354-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C354-0935?
Check Price and Availability of C354-0935, 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 C354-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C354-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C354-0935
  • 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 C354-0935 available by request