C355-0757 Screening compound: 4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl thiophene-2-carboxylate

C355-0757 Screening compound: 4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl thiophene-2-carboxylate
C355-0757 Screening compound: 4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0757
4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl thiophene-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

C355-0757

Molecular Formula

C21H18N4O6S3 (C21 H18 N4 O6 S3)

Compound Name

4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl thiophene-2-carboxylate

IUPAC name

4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl thiophene-2-carboxylate

SMILES

CCOc(cc(/C=C(/C(N(C(S(CC)(=O)=O)=NS1)C1=N1)=N)\C1=O)cc1)c1OC(c1cccs1)=O

InChI

InChI=1S/C21H18N4O6S3/c1-3-30-15-11-12(7-8-14(15)31-19(27)16-6-5-9-32-16)10-13-17(22)25-20(23-18(13)26)33-24-21(25)34(28,29)4-2/h5-11,22H,3-4H2,1-2H3

InChI Key

FDZKNRYWYFKVAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.6

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-2.92

Polar Surface Area

109.000

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C355-0757 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 C355-0757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0757?
Check Price and Availability of C355-0757, 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 C355-0757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0757
  • 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 C355-0757 available by request