C355-1139 Screening compound: ethyl 4-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoate

C355-1139 Screening compound: ethyl 4-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoate
C355-1139 Screening compound: ethyl 4-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1139
ethyl 4-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoate

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

C355-1139

Molecular Formula

C22H20N4O6S2 (C22 H20 N4 O6 S2)

Compound Name

ethyl 4-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoate

IUPAC name

ethyl 4-(5-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoate

SMILES

CCOC(c(cc1)ccc1-c1ccc(/C=C(/C(N(C(S(C(C)C)(=O)=O)=NS2)C2=N2)=N)\C2=O)o1)=O

InChI

InChI=1S/C22H20N4O6S2/c1-4-31-20(28)14-7-5-13(6-8-14)17-10-9-15(32-17)11-16-18(23)26-21(24-19(16)27)33-25-22(26)34(29,30)12(2)3/h5-12,23H,4H2,1-3H3

InChI Key

XJBBDZHYBYCIMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.56

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.440

Distribution Coefficient, logD

3.440

Water Solubility, LogSw

-3.65

Polar Surface Area

109.366

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C355-1139 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 C355-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1139?
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What is the minimum amount of C355-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1139
  • 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 C355-1139 available by request