C355-0177 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate

C355-0177 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate
C355-0177 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-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 C355-0177
2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-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

C355-0177

Molecular Formula

C16H16N4O7S3 (C16 H16 N4 O7 S3)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H16N4O7S3/c1-4-26-12-8-9(5-6-11(12)27-30(3,24)25)7-10-13(17)20-15(18-14(10)21)28-19-16(20)29(2,22)23/h5-8,17H,4H2,1-3H3

InChI Key

IRCDAGDRWZYGBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.52

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.293

Distribution Coefficient, logD

-0.300

Water Solubility, LogSw

-2.26

Polar Surface Area

124.465

Acid Dissociation Constant (pKa)

23.98

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C355-0177 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C355-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0177?
Check Price and Availability of C355-0177, 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 C355-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0177
  • 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 C355-0177 available by request